3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C11H14Cl2N4O — CID 113411612

IUPAC3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNc1nc(Cl)ncc1Cl)N1CCCC1
InChIInChI=1S/C11H14Cl2N4O/c12-8-7-15-11(13)16-10(8)14-4-3-9(18)17-5-1-2-6-17/h7H,1-6H2,(H,14,15,16)
InChIKeyWTDCARHGBQBQDP-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.21
Rot. Bonds4

About 3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 113411612) has the molecular formula C11H14Cl2N4O and a molecular weight of 289.17 g/mol. Its IUPAC name is 3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID113411612
Molecular FormulaC11H14Cl2N4O
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNc1nc(Cl)ncc1Cl)N1CCCC1
InChIInChI=1S/C11H14Cl2N4O/c12-8-7-15-11(13)16-10(8)14-4-3-9(18)17-5-1-2-6-17/h7H,1-6H2,(H,14,15,16)
InChIKeyWTDCARHGBQBQDP-UHFFFAOYSA-N
XLogP2.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411617
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 79632812
3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105369598
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013913
3-[(3-amino-5-chloro-4-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114285890
3-[(5-bromopyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115619264
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112699008
2,5-dichloro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106326689
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013396
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one
CID 39948758

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 113411612) is 3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNc1nc(Cl)ncc1Cl)N1CCCC1.
What is the InChIKey of 3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WTDCARHGBQBQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O/c12-8-7-15-11(13)16-10(8)14-4-3-9(18)17-5-1-2-6-17/h7H,1-6H2,(H,14,15,16).
What are the key properties of 3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 289.17 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 113411612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).