2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone

C10H13ClN4O — CID 115695339

IUPAC2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1ccnc(Cl)n1)N1CCCC1
InChIInChI=1S/C10H13ClN4O/c11-10-12-4-3-8(14-10)13-7-9(16)15-5-1-2-6-15/h3-4H,1-2,5-7H2,(H,12,13,14)
InChIKeyMHMCBEVBRQIANA-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.16
Rot. Bonds3

About 2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone

2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 115695339) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID115695339
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1ccnc(Cl)n1)N1CCCC1
InChIInChI=1S/C10H13ClN4O/c11-10-12-4-3-8(14-10)13-7-9(16)15-5-1-2-6-15/h3-4H,1-2,5-7H2,(H,12,13,14)
InChIKeyMHMCBEVBRQIANA-UHFFFAOYSA-N
XLogP1.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 154746917
3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 133297412
2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 113224733
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 102716148
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile
CID 107545115
2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113406477
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
N-(2-chloropyrimidin-4-yl)pyrrolidine-1-sulfonamide
CID 116798744

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone (CID 115695339) is 2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone is O=C(CNc1ccnc(Cl)n1)N1CCCC1.
What is the InChIKey of 2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is MHMCBEVBRQIANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-10-12-4-3-8(14-10)13-7-9(16)15-5-1-2-6-15/h3-4H,1-2,5-7H2,(H,12,13,14).
What are the key properties of 2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 240.69 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 115695339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).