1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one

C12H10Cl2N6O — CID 155457156

IUPAC1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ncccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H10Cl2N6O/c13-7-6-17-11(14)19-9(7)18-8-2-1-3-15-10(8)20-5-4-16-12(20)21/h1-3,6H,4-5H2,(H,16,21)(H,17,18,19)
InChIKeyBVAVFIVPOKVIDX-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.45
Rot. Bonds3

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

1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one (PubChem CID 155457156) has the molecular formula C12H10Cl2N6O and a molecular weight of 325.16 g/mol. Its IUPAC name is 1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one
PubChem CID155457156
Molecular FormulaC12H10Cl2N6O
Molecular Weight325.16 g/mol
Exact Mass324.03
IUPAC Name1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ncccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H10Cl2N6O/c13-7-6-17-11(14)19-9(7)18-8-2-1-3-15-10(8)20-5-4-16-12(20)21/h1-3,6H,4-5H2,(H,16,21)(H,17,18,19)
InChIKeyBVAVFIVPOKVIDX-UHFFFAOYSA-N
XLogP2.45
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile
CID 155457167
2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine
CID 86633907
1-(3-amino-2-pyridinyl)imidazolidin-2-one
CID 155457116
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine
CID 167014608
1-(3-nitroso-2-pyridinyl)imidazolidin-2-one
CID 155457118
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 163444806
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one (CID 155457156) is 1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one is O=C1NCCN1c1ncccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is BVAVFIVPOKVIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N6O/c13-7-6-17-11(14)19-9(7)18-8-2-1-3-15-10(8)20-5-4-16-12(20)21/h1-3,6H,4-5H2,(H,16,21)(H,17,18,19).
What are the key properties of 1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one?
1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 325.16 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 155457156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).