N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine

C15H18N8 — CID 99626812

IUPACN,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine
SMILESCc1cc(N(C)C[C@@H](C)c2nn[nH]n2)nc(-c2ccncc2)n1
InChIInChI=1S/C15H18N8/c1-10(14-19-21-22-20-14)9-23(3)13-8-11(2)17-15(18-13)12-4-6-16-7-5-12/h4-8,10H,9H2,1-3H3,(H,19,20,21,22)/t10-/m1/s1
InChIKeyZXKBHAYSLAXIHZ-SNVBAGLBSA-N
MW310.36 g/mol
LogP1.60
Rot. Bonds5

About N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine

N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine (PubChem CID 99626812) has the molecular formula C15H18N8 and a molecular weight of 310.36 g/mol. Its IUPAC name is N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine
PubChem CID99626812
Molecular FormulaC15H18N8
Molecular Weight310.36 g/mol
Exact Mass310.17
IUPAC NameN,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine
SMILESCc1cc(N(C)C[C@@H](C)c2nn[nH]n2)nc(-c2ccncc2)n1
InChIInChI=1S/C15H18N8/c1-10(14-19-21-22-20-14)9-23(3)13-8-11(2)17-15(18-13)12-4-6-16-7-5-12/h4-8,10H,9H2,1-3H3,(H,19,20,21,22)/t10-/m1/s1
InChIKeyZXKBHAYSLAXIHZ-SNVBAGLBSA-N
XLogP1.60
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine (CID 99626812) is N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine is Cc1cc(N(C)C[C@@H](C)c2nn[nH]n2)nc(-c2ccncc2)n1.
What is the InChIKey of N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine?
The InChIKey is ZXKBHAYSLAXIHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N8/c1-10(14-19-21-22-20-14)9-23(3)13-8-11(2)17-15(18-13)12-4-6-16-7-5-12/h4-8,10H,9H2,1-3H3,(H,19,20,21,22)/t10-/m1/s1.
What are the key properties of N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine?
N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine has a molecular weight of 310.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-pyridin-4-yl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 99626812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).