(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone

C9H10ClN3O — CID 154746917

IUPAC(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(Cl)n1)N1CCCC1
InChIInChI=1S/C9H10ClN3O/c10-9-11-4-3-7(12-9)8(14)13-5-1-2-6-13/h3-4H,1-2,5-6H2
InChIKeyICJKZZVUUSJOQS-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.37
Rot. Bonds1

About (2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone

(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 154746917) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is (2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID154746917
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(Cl)n1)N1CCCC1
InChIInChI=1S/C9H10ClN3O/c10-9-11-4-3-7(12-9)8(14)13-5-1-2-6-13/h3-4H,1-2,5-6H2
InChIKeyICJKZZVUUSJOQS-UHFFFAOYSA-N
XLogP1.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
[2-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298574
2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
CID 117212993
[2-(dipropylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298477
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
(2-chloro-6-methylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 102538212
azepan-1-yl-[2-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109313290
[2-(4-bromoanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297774
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339

Frequently Asked Questions

What is the IUPAC name of (2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone (CID 154746917) is (2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone is O=C(c1ccnc(Cl)n1)N1CCCC1.
What is the InChIKey of (2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is ICJKZZVUUSJOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-9-11-4-3-7(12-9)8(14)13-5-1-2-6-13/h3-4H,1-2,5-6H2.
What are the key properties of (2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone?
(2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 211.65 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloropyrimidin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 154746917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).