[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone

C21H21N5O — CID 70671721

IUPAC[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(N)nc(-c2ccc(C(=O)N3CCCC3)cc2)c1-c1cccnc1
InChIInChI=1S/C21H21N5O/c1-14-18(17-5-4-10-23-13-17)19(25-21(22)24-14)15-6-8-16(9-7-15)20(27)26-11-2-3-12-26/h4-10,13H,2-3,11-12H2,1H3,(H2,22,24,25)
InChIKeyXDTTXXHIPXDFOX-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.33
Rot. Bonds3

About [4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone

[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 70671721) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID70671721
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(N)nc(-c2ccc(C(=O)N3CCCC3)cc2)c1-c1cccnc1
InChIInChI=1S/C21H21N5O/c1-14-18(17-5-4-10-23-13-17)19(25-21(22)24-14)15-6-8-16(9-7-15)20(27)26-11-2-3-12-26/h4-10,13H,2-3,11-12H2,1H3,(H2,22,24,25)
InChIKeyXDTTXXHIPXDFOX-UHFFFAOYSA-N
XLogP3.33
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 70671721) is [4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone is Cc1nc(N)nc(-c2ccc(C(=O)N3CCCC3)cc2)c1-c1cccnc1.
What is the InChIKey of [4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is XDTTXXHIPXDFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-18(17-5-4-10-23-13-17)19(25-21(22)24-14)15-6-8-16(9-7-15)20(27)26-11-2-3-12-26/h4-10,13H,2-3,11-12H2,1H3,(H2,22,24,25).
What are the key properties of [4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 359.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 70671721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).