N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine

C12H16N6 — CID 136588820

IUPACN-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine
SMILESc1cnc(N[C@H]2CCC[C@H]2Cn2ccnn2)nc1
InChIInChI=1S/C12H16N6/c1-3-10(9-18-8-7-15-17-18)11(4-1)16-12-13-5-2-6-14-12/h2,5-8,10-11H,1,3-4,9H2,(H,13,14,16)/t10-,11-/m0/s1
InChIKeyGLJDTYFSIDYOOJ-QWRGUYRKSA-N
MW244.30 g/mol
LogP1.35
Rot. Bonds4

About N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine

N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine (PubChem CID 136588820) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine
PubChem CID136588820
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC NameN-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine
SMILESc1cnc(N[C@H]2CCC[C@H]2Cn2ccnn2)nc1
InChIInChI=1S/C12H16N6/c1-3-10(9-18-8-7-15-17-18)11(4-1)16-12-13-5-2-6-14-12/h2,5-8,10-11H,1,3-4,9H2,(H,13,14,16)/t10-,11-/m0/s1
InChIKeyGLJDTYFSIDYOOJ-QWRGUYRKSA-N
XLogP1.35
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine?
The IUPAC name of N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine (CID 136588820) is N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine?
The canonical SMILES for N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine is c1cnc(N[C@H]2CCC[C@H]2Cn2ccnn2)nc1.
What is the InChIKey of N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine?
The InChIKey is GLJDTYFSIDYOOJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H16N6/c1-3-10(9-18-8-7-15-17-18)11(4-1)16-12-13-5-2-6-14-12/h2,5-8,10-11H,1,3-4,9H2,(H,13,14,16)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine?
N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(triazol-1-ylmethyl)cyclopentyl]pyrimidin-2-amine is sourced from PubChem (CID 136588820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).