1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea

C11H10Cl2N6O — CID 75524670

IUPAC1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea
SMILESNc1nc(Cl)cc(NNC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N6O/c12-6-2-1-3-7(4-6)15-11(20)19-18-9-5-8(13)16-10(14)17-9/h1-5H,(H2,15,19,20)(H3,14,16,17,18)
InChIKeyNEGCXIMHPRQULI-UHFFFAOYSA-N
MW313.15 g/mol
LogP2.51
Rot. Bonds3

About 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea

1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea (PubChem CID 75524670) has the molecular formula C11H10Cl2N6O and a molecular weight of 313.15 g/mol. Its IUPAC name is 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea
PubChem CID75524670
Molecular FormulaC11H10Cl2N6O
Molecular Weight313.15 g/mol
Exact Mass312.03
IUPAC Name1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea
SMILESNc1nc(Cl)cc(NNC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H10Cl2N6O/c12-6-2-1-3-7(4-6)15-11(20)19-18-9-5-8(13)16-10(14)17-9/h1-5H,(H2,15,19,20)(H3,14,16,17,18)
InChIKeyNEGCXIMHPRQULI-UHFFFAOYSA-N
XLogP2.51
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea 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

1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
CID 4193262
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471
3-[(2-amino-6-chloropyrimidin-4-yl)amino]benzoic acid
CID 19257146
1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea
CID 2781839
1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea
CID 2323772
1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 115865549
1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 16777079
1-(3-chlorophenyl)-3-[4-(trifluoromethoxy)anilino]urea
CID 46672807
1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea
CID 901022
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
methyl N-(3-chlorophenyl)carbamate
CID 16529
CID 168763640
CID 168763640

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea (CID 75524670) is 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea is Nc1nc(Cl)cc(NNC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea?
The InChIKey is NEGCXIMHPRQULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N6O/c12-6-2-1-3-7(4-6)15-11(20)19-18-9-5-8(13)16-10(14)17-9/h1-5H,(H2,15,19,20)(H3,14,16,17,18).
What are the key properties of 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea?
1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea has a molecular weight of 313.15 g/mol, XLogP of 2.51, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 75524670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).