4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine

C15H19ClN6 — CID 165036743

IUPAC4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESC[C@]12CCC[C@H]1CN(c1nc(Nc3cn[nH]c3)ncc1Cl)C2
InChIInChI=1S/C15H19ClN6/c1-15-4-2-3-10(15)8-22(9-15)13-12(16)7-17-14(21-13)20-11-5-18-19-6-11/h5-7,10H,2-4,8-9H2,1H3,(H,18,19)(H,17,20,21)/t10-,15+/m0/s1
InChIKeyYUHGUSSBHWSIPF-ZUZCIYMTSA-N
MW318.81 g/mol
LogP3.22
Rot. Bonds3

About 4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine

4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 165036743) has the molecular formula C15H19ClN6 and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID165036743
Molecular FormulaC15H19ClN6
Molecular Weight318.81 g/mol
Exact Mass318.14
IUPAC Name4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESC[C@]12CCC[C@H]1CN(c1nc(Nc3cn[nH]c3)ncc1Cl)C2
InChIInChI=1S/C15H19ClN6/c1-15-4-2-3-10(15)8-22(9-15)13-12(16)7-17-14(21-13)20-11-5-18-19-6-11/h5-7,10H,2-4,8-9H2,1H3,(H,18,19)(H,17,20,21)/t10-,15+/m0/s1
InChIKeyYUHGUSSBHWSIPF-ZUZCIYMTSA-N
XLogP3.22
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine (CID 165036743) is 4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine is C[C@]12CCC[C@H]1CN(c1nc(Nc3cn[nH]c3)ncc1Cl)C2.
What is the InChIKey of 4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is YUHGUSSBHWSIPF-ZUZCIYMTSA-N. The full InChI is InChI=1S/C15H19ClN6/c1-15-4-2-3-10(15)8-22(9-15)13-12(16)7-17-14(21-13)20-11-5-18-19-6-11/h5-7,10H,2-4,8-9H2,1H3,(H,18,19)(H,17,20,21)/t10-,15+/m0/s1.
What are the key properties of 4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine?
4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 318.81 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,6aR)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-chloro-N-(1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 165036743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).