[4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

C19H19N5O — CID 22713601

IUPAC[4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESNc1ncc(-c2ccccc2)c(-c2c[nH]c(C(=O)N3CCCC3)c2)n1
InChIInChI=1S/C19H19N5O/c20-19-22-12-15(13-6-2-1-3-7-13)17(23-19)14-10-16(21-11-14)18(25)24-8-4-5-9-24/h1-3,6-7,10-12,21H,4-5,8-9H2,(H2,20,22,23)
InChIKeySWHLZJMJPHPRKT-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.96
Rot. Bonds3

About [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

[4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 22713601) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID22713601
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name[4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESNc1ncc(-c2ccccc2)c(-c2c[nH]c(C(=O)N3CCCC3)c2)n1
InChIInChI=1S/C19H19N5O/c20-19-22-12-15(13-6-2-1-3-7-13)17(23-19)14-10-16(21-11-14)18(25)24-8-4-5-9-24/h1-3,6-7,10-12,21H,4-5,8-9H2,(H2,20,22,23)
InChIKeySWHLZJMJPHPRKT-UHFFFAOYSA-N
XLogP2.96
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 22713601) is [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is Nc1ncc(-c2ccccc2)c(-c2c[nH]c(C(=O)N3CCCC3)c2)n1.
What is the InChIKey of [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SWHLZJMJPHPRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-19-22-12-15(13-6-2-1-3-7-13)17(23-19)14-10-16(21-11-14)18(25)24-8-4-5-9-24/h1-3,6-7,10-12,21H,4-5,8-9H2,(H2,20,22,23).
What are the key properties of [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
[4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 333.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 22713601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).