N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide

C13H14N4O — CID 168650971

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide
SMILESCc1cc(C)nc(Nc2ccc(NC=O)cc2)n1
InChIInChI=1S/C13H14N4O/c1-9-7-10(2)16-13(15-9)17-12-5-3-11(4-6-12)14-8-18/h3-8H,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyAEBSGSBQQGTZOH-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.41
Rot. Bonds4

About N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide (PubChem CID 168650971) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide
PubChem CID168650971
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide
SMILESCc1cc(C)nc(Nc2ccc(NC=O)cc2)n1
InChIInChI=1S/C13H14N4O/c1-9-7-10(2)16-13(15-9)17-12-5-3-11(4-6-12)14-8-18/h3-8H,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyAEBSGSBQQGTZOH-UHFFFAOYSA-N
XLogP2.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
CID 741703
N-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 155453170
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 108777581
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
N-(2-methylquinolin-6-yl)formamide
CID 58958350
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-pyrimidin-2-ylbenzamide
CID 108796607
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997
N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-quinoxalin-2-ylbenzene-1,4-diamine
CID 108777589
4-[(4,6-dimethylpyrimidin-2-yl)amino]-2-fluorobenzoic acid
CID 114002149
1-chloro-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]propan-2-ol
CID 168636994

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide (CID 168650971) is N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide is Cc1cc(C)nc(Nc2ccc(NC=O)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide?
The InChIKey is AEBSGSBQQGTZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-7-10(2)16-13(15-9)17-12-5-3-11(4-6-12)14-8-18/h3-8H,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide has a molecular weight of 242.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]formamide is sourced from PubChem (CID 168650971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).