(4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol

C16H13ClN4O — CID 56658647

IUPAC(4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol
SMILESCc1cnc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cn1
InChIInChI=1S/C16H13ClN4O/c1-11-6-21-15(9-20-11)16(22,13-7-18-10-19-8-13)12-2-4-14(17)5-3-12/h2-10,22H,1H3
InChIKeyZNECCHGSNXGVAI-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.51
Rot. Bonds3

About (4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol

(4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol (PubChem CID 56658647) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol
PubChem CID56658647
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name(4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol
SMILESCc1cnc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cn1
InChIInChI=1S/C16H13ClN4O/c1-11-6-21-15(9-20-11)16(22,13-7-18-10-19-8-13)12-2-4-14(17)5-3-12/h2-10,22H,1H3
InChIKeyZNECCHGSNXGVAI-UHFFFAOYSA-N
XLogP2.51
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol (CID 56658647) is (4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol is Cc1cnc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cn1.
What is the InChIKey of (4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol?
The InChIKey is ZNECCHGSNXGVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-11-6-21-15(9-20-11)16(22,13-7-18-10-19-8-13)12-2-4-14(17)5-3-12/h2-10,22H,1H3.
What are the key properties of (4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol?
(4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol has a molecular weight of 312.76 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methylpyrazin-2-yl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 56658647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).