2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine

C21H28N6OS — CID 167377308

IUPAC2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1noc(C)c1-c1csc2c(N[C@@H](C)CN3CCNCC3)nc(C3CC3)nc12
InChIInChI=1S/C21H28N6OS/c1-12(10-27-8-6-22-7-9-27)23-21-19-18(24-20(25-21)15-4-5-15)16(11-29-19)17-13(2)26-28-14(17)3/h11-12,15,22H,4-10H2,1-3H3,(H,23,24,25)/t12-/m0/s1
InChIKeyAYQVRRHGTDYWHI-LBPRGKRZSA-N
MW412.56 g/mol
LogP3.55
Rot. Bonds6

About 2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine

2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 167377308) has the molecular formula C21H28N6OS and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID167377308
Molecular FormulaC21H28N6OS
Molecular Weight412.56 g/mol
Exact Mass412.20
IUPAC Name2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1noc(C)c1-c1csc2c(N[C@@H](C)CN3CCNCC3)nc(C3CC3)nc12
InChIInChI=1S/C21H28N6OS/c1-12(10-27-8-6-22-7-9-27)23-21-19-18(24-20(25-21)15-4-5-15)16(11-29-19)17-13(2)26-28-14(17)3/h11-12,15,22H,4-10H2,1-3H3,(H,23,24,25)/t12-/m0/s1
InChIKeyAYQVRRHGTDYWHI-LBPRGKRZSA-N
XLogP3.55
TPSA79.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

(2S)-1-N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596347
(2S)-1-N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596432
(2S)-1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596602
N-[(2S)-1-[4-[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 167377301
1-[7-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 117666637
1-N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 124033530
7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-fluoro-4-pyridinyl)-N-(3-phenylpropyl)thieno[3,2-d]pyrimidin-4-amine
CID 145582539
6-Fluoro-3-[(4-{7-methylthieno[3,2-d]pyrimidin-4-yl}piperazin-1-yl)methyl]-1,2-benzoxazole
CID 171998463
1-[7-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 117666437
(2S)-3-cyclohexa-1,5-dien-1-yl-1-N-[7-(5-ethyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]propane-1,2-diamine
CID 122431030
1-N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123809120
1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123809199

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine (CID 167377308) is 2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine is Cc1noc(C)c1-c1csc2c(N[C@@H](C)CN3CCNCC3)nc(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is AYQVRRHGTDYWHI-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H28N6OS/c1-12(10-27-8-6-22-7-9-27)23-21-19-18(24-20(25-21)15-4-5-15)16(11-29-19)17-13(2)26-28-14(17)3/h11-12,15,22H,4-10H2,1-3H3,(H,23,24,25)/t12-/m0/s1.
What are the key properties of 2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 412.56 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-piperazin-1-ylpropan-2-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 167377308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).