4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine

C16H19N7 — CID 95509779

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(N[C@H](C)Cn3cncn3)n2)c(C)n1
InChIInChI=1S/C16H19N7/c1-11-4-5-14(13(3)20-11)15-6-7-18-16(22-15)21-12(2)8-23-10-17-9-19-23/h4-7,9-10,12H,8H2,1-3H3,(H,18,21,22)/t12-/m1/s1
InChIKeyZPQLFEQQIAENNC-GFCCVEGCSA-N
MW309.38 g/mol
LogP2.25
Rot. Bonds5

About 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine

4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine (PubChem CID 95509779) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine
PubChem CID95509779
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(N[C@H](C)Cn3cncn3)n2)c(C)n1
InChIInChI=1S/C16H19N7/c1-11-4-5-14(13(3)20-11)15-6-7-18-16(22-15)21-12(2)8-23-10-17-9-19-23/h4-7,9-10,12H,8H2,1-3H3,(H,18,21,22)/t12-/m1/s1
InChIKeyZPQLFEQQIAENNC-GFCCVEGCSA-N
XLogP2.25
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine (CID 95509779) is 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine is Cc1ccc(-c2ccnc(N[C@H](C)Cn3cncn3)n2)c(C)n1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine?
The InChIKey is ZPQLFEQQIAENNC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N7/c1-11-4-5-14(13(3)20-11)15-6-7-18-16(22-15)21-12(2)8-23-10-17-9-19-23/h4-7,9-10,12H,8H2,1-3H3,(H,18,21,22)/t12-/m1/s1.
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine has a molecular weight of 309.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-pyridinyl)-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95509779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).