3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile

C17H22N8 — CID 169170069

IUPAC3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile
SMILESN#CC1(CN)CCCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C1
InChIInChI=1S/C17H22N8/c18-9-17(10-19)5-1-7-25(11-17)16-20-6-4-14(22-16)21-15-8-13(23-24-15)12-2-3-12/h4,6,8,12H,1-3,5,7,9,11,18H2,(H2,20,21,22,23,24)
InChIKeyLNWSCCLNVBENRF-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.89
Rot. Bonds5

About 3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile

3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile (PubChem CID 169170069) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile
PubChem CID169170069
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile
SMILESN#CC1(CN)CCCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C1
InChIInChI=1S/C17H22N8/c18-9-17(10-19)5-1-7-25(11-17)16-20-6-4-14(22-16)21-15-8-13(23-24-15)12-2-3-12/h4,6,8,12H,1-3,5,7,9,11,18H2,(H2,20,21,22,23,24)
InChIKeyLNWSCCLNVBENRF-UHFFFAOYSA-N
XLogP1.89
TPSA119.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile with MolForge

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Related Compounds

2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 170131198
2-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 176763076
2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170191
2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170320
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 162002433
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 170132228
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(3-propylpyrrolidin-1-yl)pyrimidin-4-amine
CID 169160087
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[3-(2-methylbutyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 169170155
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 169170094
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(2R)-2-(methylaminomethyl)morpholin-4-yl]pyrimidin-4-amine
CID 169170276
1-[1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyrrolidin-3-yl]propane-2-thiol
CID 169160007
2-[4-(chloromethyl)-2-azabicyclo[2.1.1]hexan-2-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170033

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile?
The IUPAC name of 3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile (CID 169170069) is 3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile is N#CC1(CN)CCCN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C1.
What is the InChIKey of 3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile?
The InChIKey is LNWSCCLNVBENRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c18-9-17(10-19)5-1-7-25(11-17)16-20-6-4-14(22-16)21-15-8-13(23-24-15)12-2-3-12/h4,6,8,12H,1-3,5,7,9,11,18H2,(H2,20,21,22,23,24).
What are the key properties of 3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile?
3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile has a molecular weight of 338.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile is sourced from PubChem (CID 169170069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).