N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine

C17H18N6 — CID 74233572

IUPACN-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine
SMILESCN(Cc1n[nH]c2c1CCC2)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C17H18N6/c1-23(11-16-13-5-2-6-15(13)21-22-16)17-19-9-7-14(20-17)12-4-3-8-18-10-12/h3-4,7-10H,2,5-6,11H2,1H3,(H,21,22)
InChIKeyNSQMIGVAOGCMRQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.39
Rot. Bonds4

About N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine

N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine (PubChem CID 74233572) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine
PubChem CID74233572
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC NameN-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine
SMILESCN(Cc1n[nH]c2c1CCC2)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C17H18N6/c1-23(11-16-13-5-2-6-15(13)21-22-16)17-19-9-7-14(20-17)12-4-3-8-18-10-12/h3-4,7-10H,2,5-6,11H2,1H3,(H,21,22)
InChIKeyNSQMIGVAOGCMRQ-UHFFFAOYSA-N
XLogP2.39
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine (CID 74233572) is N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine is CN(Cc1n[nH]c2c1CCC2)c1nccc(-c2cccnc2)n1.
What is the InChIKey of N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is NSQMIGVAOGCMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-23(11-16-13-5-2-6-15(13)21-22-16)17-19-9-7-14(20-17)12-4-3-8-18-10-12/h3-4,7-10H,2,5-6,11H2,1H3,(H,21,22).
What are the key properties of N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine?
N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 306.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyridin-3-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 74233572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).