2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide

C15H24N4O — CID 71807381

IUPAC2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
SMILESCc1cc(N2CCCC2)nc(CNC(=O)C(C)(C)C)n1
InChIInChI=1S/C15H24N4O/c1-11-9-13(19-7-5-6-8-19)18-12(17-11)10-16-14(20)15(2,3)4/h9H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyCFUCWFUWWKBXAO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.05
Rot. Bonds3

About 2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide

2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide (PubChem CID 71807381) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
PubChem CID71807381
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
SMILESCc1cc(N2CCCC2)nc(CNC(=O)C(C)(C)C)n1
InChIInChI=1S/C15H24N4O/c1-11-9-13(19-7-5-6-8-19)18-12(17-11)10-16-14(20)15(2,3)4/h9H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyCFUCWFUWWKBXAO-UHFFFAOYSA-N
XLogP2.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide (CID 71807381) is 2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide is Cc1cc(N2CCCC2)nc(CNC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
The InChIKey is CFUCWFUWWKBXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-9-13(19-7-5-6-8-19)18-12(17-11)10-16-14(20)15(2,3)4/h9H,5-8,10H2,1-4H3,(H,16,20).
What are the key properties of 2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide?
2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide is sourced from PubChem (CID 71807381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).