N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C15H20N4 — CID 146995534

IUPACN-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C1[C@H]2CCC[C@@H]12)N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C15H20N4/c1-9(13-10-4-3-5-11(10)13)19(2)15-12-6-7-16-14(12)17-8-18-15/h6-11,13H,3-5H2,1-2H3,(H,16,17,18)/t9?,10-,11+,13?
InChIKeyAQZZNSJBQJRJCD-VOZVASTJSA-N
MW256.35 g/mol
LogP2.83
Rot. Bonds3

About N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 146995534) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID146995534
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C1[C@H]2CCC[C@@H]12)N(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C15H20N4/c1-9(13-10-4-3-5-11(10)13)19(2)15-12-6-7-16-14(12)17-8-18-15/h6-11,13H,3-5H2,1-2H3,(H,16,17,18)/t9?,10-,11+,13?
InChIKeyAQZZNSJBQJRJCD-VOZVASTJSA-N
XLogP2.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-(4-propan-2-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68679684
N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172970961
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160618729
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511
N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine
CID 157185831
N-cyclobutyl-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanesulfonamide
CID 59252667
N-cyclopentyl-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-sulfonamide
CID 146602624
N-(2,4-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68682476
4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 139004842
1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine
CID 139013756
N-cyclobutyl-N-methyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 118868782
N-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875032

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 146995534) is N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(C1[C@H]2CCC[C@@H]12)N(C)c1ncnc2[nH]ccc12.
What is the InChIKey of N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AQZZNSJBQJRJCD-VOZVASTJSA-N. The full InChI is InChI=1S/C15H20N4/c1-9(13-10-4-3-5-11(10)13)19(2)15-12-6-7-16-14(12)17-8-18-15/h6-11,13H,3-5H2,1-2H3,(H,16,17,18)/t9?,10-,11+,13?.
What are the key properties of N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146995534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).