1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C15H23ClN4O — CID 106321030

IUPAC1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(C(C)C)nc(Cl)c2C)C1
InChIInChI=1S/C15H23ClN4O/c1-9(2)12-18-11(16)10(3)13(19-12)20-7-6-15(4,8-20)14(21)17-5/h9H,6-8H2,1-5H3,(H,17,21)
InChIKeyKISYJUOLOLTHCZ-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.52
Rot. Bonds3

About 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106321030) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106321030
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(C(C)C)nc(Cl)c2C)C1
InChIInChI=1S/C15H23ClN4O/c1-9(2)12-18-11(16)10(3)13(19-12)20-7-6-15(4,8-20)14(21)17-5/h9H,6-8H2,1-5H3,(H,17,21)
InChIKeyKISYJUOLOLTHCZ-UHFFFAOYSA-N
XLogP2.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322370
N,3-dimethyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322336
1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106320992
4-chloro-5-methyl-6-piperidin-1-yl-2-propan-2-ylpyrimidine
CID 80970489
N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322506
1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321073
1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321009
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322483
1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322468
N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322286
4-chloro-5-methyl-6-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidine
CID 80971294
1-(6-chloro-4-nitro-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150503

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106321030) is 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nc(C(C)C)nc(Cl)c2C)C1.
What is the InChIKey of 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is KISYJUOLOLTHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-9(2)12-18-11(16)10(3)13(19-12)20-7-6-15(4,8-20)14(21)17-5/h9H,6-8H2,1-5H3,(H,17,21).
What are the key properties of 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106321030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).