N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide

C13H14ClN5O — CID 47464161

IUPACN-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Nc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C13H14ClN5O/c1-8(20)19(2)10-5-3-9(4-6-10)16-12-7-11(14)17-13(15)18-12/h3-7H,1-2H3,(H3,15,16,17,18)
InChIKeyOZCQJEGLWJFYJD-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.44
Rot. Bonds3

About N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide

N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide (PubChem CID 47464161) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide
PubChem CID47464161
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC NameN-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(Nc2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C13H14ClN5O/c1-8(20)19(2)10-5-3-9(4-6-10)16-12-7-11(14)17-13(15)18-12/h3-7H,1-2H3,(H3,15,16,17,18)
InChIKeyOZCQJEGLWJFYJD-UHFFFAOYSA-N
XLogP2.44
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol
CID 86004324
3-[(2-amino-6-chloropyrimidin-4-yl)amino]benzoic acid
CID 19257146
4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80790051
N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide
CID 10613916
2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
CID 56804897
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
CID 78955869
N-[4-[acetyl(methyl)amino]phenyl]-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 51127242
6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80735300
1-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 106767240
N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide
CID 133277110
3-[(2-amino-6-chloropyrimidin-4-yl)amino]benzonitrile
CID 80734947

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide (CID 47464161) is N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(Nc2cc(Cl)nc(N)n2)cc1.
What is the InChIKey of N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide?
The InChIKey is OZCQJEGLWJFYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-8(20)19(2)10-5-3-9(4-6-10)16-12-7-11(14)17-13(15)18-12/h3-7H,1-2H3,(H3,15,16,17,18).
What are the key properties of N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide?
N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide has a molecular weight of 291.74 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 47464161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).