6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine

C12H17N5 — CID 91221809

IUPAC6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cn2nccc2nc1N[C@H]1CCCNC1
InChIInChI=1S/C12H17N5/c1-9-8-17-11(4-6-14-17)16-12(9)15-10-3-2-5-13-7-10/h4,6,8,10,13H,2-3,5,7H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyYZFQQGCCCGODPR-JTQLQIEISA-N
MW231.30 g/mol
LogP1.20
Rot. Bonds2

About 6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine

6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 91221809) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID91221809
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cn2nccc2nc1N[C@H]1CCCNC1
InChIInChI=1S/C12H17N5/c1-9-8-17-11(4-6-14-17)16-12(9)15-10-3-2-5-13-7-10/h4,6,8,10,13H,2-3,5,7H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyYZFQQGCCCGODPR-JTQLQIEISA-N
XLogP1.20
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-piperidin-3-ylpyrazin-2-amine;hydrochloride
CID 71639312
2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642523
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
5-bromo-6-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 83844973
3-methyl-N-[(3R)-piperidin-3-yl]thieno[3,2-c]pyridin-4-amine
CID 172533104
5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 154893939
N-piperidin-3-ylpyridin-2-amine
CID 63321128
2,3-dimethyl-N-piperidin-3-ylpyridin-4-amine
CID 83833082
3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876094
N-[(3S)-piperidin-3-yl]-3-pyridin-3-ylpyrazin-2-amine
CID 174673884
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 91221809) is 6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine is Cc1cn2nccc2nc1N[C@H]1CCCNC1.
What is the InChIKey of 6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is YZFQQGCCCGODPR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N5/c1-9-8-17-11(4-6-14-17)16-12(9)15-10-3-2-5-13-7-10/h4,6,8,10,13H,2-3,5,7H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 231.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 91221809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).