[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone

C19H20N6O — CID 71800051

IUPAC[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCc1nc(N2CCN(C(=O)c3cccnc3)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C19H20N6O/c1-15-21-17(23-7-2-3-8-23)13-18(22-15)24-9-11-25(12-10-24)19(26)16-5-4-6-20-14-16/h2-8,13-14H,9-12H2,1H3
InChIKeyQWDSUEPSPCQHNU-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.93
Rot. Bonds3

About [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 71800051) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID71800051
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCc1nc(N2CCN(C(=O)c3cccnc3)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C19H20N6O/c1-15-21-17(23-7-2-3-8-23)13-18(22-15)24-9-11-25(12-10-24)19(26)16-5-4-6-20-14-16/h2-8,13-14H,9-12H2,1H3
InChIKeyQWDSUEPSPCQHNU-UHFFFAOYSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 71800051) is [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone is Cc1nc(N2CCN(C(=O)c3cccnc3)CC2)cc(-n2cccc2)n1.
What is the InChIKey of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is QWDSUEPSPCQHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-15-21-17(23-7-2-3-8-23)13-18(22-15)24-9-11-25(12-10-24)19(26)16-5-4-6-20-14-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 71800051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).