N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide

C11H10ClN5O — CID 175213252

IUPACN-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide
SMILESO=CNNc1cncnc1Nc1cccc(Cl)c1
InChIInChI=1S/C11H10ClN5O/c12-8-2-1-3-9(4-8)16-11-10(17-15-7-18)5-13-6-14-11/h1-7,17H,(H,15,18)(H,13,14,16)
InChIKeyCXQVHGJOEOEXMM-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.95
Rot. Bonds5

About N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide

N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide (PubChem CID 175213252) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide.

Molecular Properties

Compound NameN-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide
PubChem CID175213252
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC NameN-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide
SMILESO=CNNc1cncnc1Nc1cccc(Cl)c1
InChIInChI=1S/C11H10ClN5O/c12-8-2-1-3-9(4-8)16-11-10(17-15-7-18)5-13-6-14-11/h1-7,17H,(H,15,18)(H,13,14,16)
InChIKeyCXQVHGJOEOEXMM-UHFFFAOYSA-N
XLogP1.95
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloroanilino)pyrimidine-5-carboxylic acid
CID 28906082
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine
CID 71048937
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
N-(3-chlorophenyl)-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 162721501
N-(3-chlorophenyl)-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrimidin-4-amine
CID 175582670
4-N-(3-chlorophenyl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 23482003
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide?
The IUPAC name of N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide (CID 175213252) is N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide.
What is the SMILES notation for N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide?
The canonical SMILES for N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide is O=CNNc1cncnc1Nc1cccc(Cl)c1.
What is the InChIKey of N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide?
The InChIKey is CXQVHGJOEOEXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c12-8-2-1-3-9(4-8)16-11-10(17-15-7-18)5-13-6-14-11/h1-7,17H,(H,15,18)(H,13,14,16).
What are the key properties of N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide?
N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide has a molecular weight of 263.69 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chloroanilino)pyrimidin-5-yl]amino]formamide is sourced from PubChem (CID 175213252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).