N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine

C19H23N7S — CID 71213071

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc2nc(N3C[C@@H]4C[C@H]3CN4C)nc(Nc3cc(C4CC4)[nH]n3)c2s1
InChIInChI=1S/C19H23N7S/c1-10-5-15-17(27-10)18(21-16-7-14(23-24-16)11-3-4-11)22-19(20-15)26-9-12-6-13(26)8-25(12)2/h5,7,11-13H,3-4,6,8-9H2,1-2H3,(H2,20,21,22,23,24)/t12-,13-/m0/s1
InChIKeyMQNPQNMCMNAYHA-STQMWFEESA-N
MW381.51 g/mol
LogP3.24
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 71213071) has the molecular formula C19H23N7S and a molecular weight of 381.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID71213071
Molecular FormulaC19H23N7S
Molecular Weight381.51 g/mol
Exact Mass381.17
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc2nc(N3C[C@@H]4C[C@H]3CN4C)nc(Nc3cc(C4CC4)[nH]n3)c2s1
InChIInChI=1S/C19H23N7S/c1-10-5-15-17(27-10)18(21-16-7-14(23-24-16)11-3-4-11)22-19(20-15)26-9-12-6-13(26)8-25(12)2/h5,7,11-13H,3-4,6,8-9H2,1-2H3,(H2,20,21,22,23,24)/t12-,13-/m0/s1
InChIKeyMQNPQNMCMNAYHA-STQMWFEESA-N
XLogP3.24
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(1S,4S)-5-propyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 69082331
[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol
CID 170982302
2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 170982473
N-(5-methyl-1H-pyrazol-3-yl)-2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]thieno[3,2-d]pyrimidin-4-amine
CID 69499294
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-[(3S)-3-methoxypyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 170982446
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane
CID 143702177
N-[6-cyclopropyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-(3-methyl-2-pyridinyl)-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170726179
7-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-methylsulfonylpyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 170982453
[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol
CID 170982312
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 78030389
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 58169387
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine
CID 90383982

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine (CID 71213071) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine is Cc1cc2nc(N3C[C@@H]4C[C@H]3CN4C)nc(Nc3cc(C4CC4)[nH]n3)c2s1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MQNPQNMCMNAYHA-STQMWFEESA-N. The full InChI is InChI=1S/C19H23N7S/c1-10-5-15-17(27-10)18(21-16-7-14(23-24-16)11-3-4-11)22-19(20-15)26-9-12-6-13(26)8-25(12)2/h5,7,11-13H,3-4,6,8-9H2,1-2H3,(H2,20,21,22,23,24)/t12-,13-/m0/s1.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 381.51 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 71213071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).