(2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol

C16H13ClN4O — CID 56682758

IUPAC(2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESNc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1
InChIInChI=1S/C16H13ClN4O/c17-14-5-3-11(4-6-14)16(22,12-2-1-7-19-8-12)13-9-20-15(18)21-10-13/h1-10,22H,(H2,18,20,21)
InChIKeyNZLSAHZMJSMKQS-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.39
Rot. Bonds3

About (2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol

(2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol (PubChem CID 56682758) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is (2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol
PubChem CID56682758
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name(2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESNc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1
InChIInChI=1S/C16H13ClN4O/c17-14-5-3-11(4-6-14)16(22,12-2-1-7-19-8-12)13-9-20-15(18)21-10-13/h1-10,22H,(H2,18,20,21)
InChIKeyNZLSAHZMJSMKQS-UHFFFAOYSA-N
XLogP2.39
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of (2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol (CID 56682758) is (2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol is Nc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1.
What is the InChIKey of (2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The InChIKey is NZLSAHZMJSMKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-14-5-3-11(4-6-14)16(22,12-2-1-7-19-8-12)13-9-20-15(18)21-10-13/h1-10,22H,(H2,18,20,21).
What are the key properties of (2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
(2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol has a molecular weight of 312.76 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopyrimidin-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56682758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).