N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine

C15H18ClN3O — CID 63548911

IUPACN-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine
SMILESCCC(C)Oc1cccc(Nc2cc(C)nc(Cl)n2)c1
InChIInChI=1S/C15H18ClN3O/c1-4-11(3)20-13-7-5-6-12(9-13)18-14-8-10(2)17-15(16)19-14/h5-9,11H,4H2,1-3H3,(H,17,18,19)
InChIKeyLXTRIXLXXQGMRV-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.36
Rot. Bonds5

About N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine

N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine (PubChem CID 63548911) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine
PubChem CID63548911
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine
SMILESCCC(C)Oc1cccc(Nc2cc(C)nc(Cl)n2)c1
InChIInChI=1S/C15H18ClN3O/c1-4-11(3)20-13-7-5-6-12(9-13)18-14-8-10(2)17-15(16)19-14/h5-9,11H,4H2,1-3H3,(H,17,18,19)
InChIKeyLXTRIXLXXQGMRV-UHFFFAOYSA-N
XLogP4.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine 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

N-(3-butan-2-yloxyphenyl)-3-chloro-1,2,4-triazin-5-amine
CID 55060108
N-(3-butan-2-yloxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80908739
2-(3-butan-2-yloxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544314
2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine
CID 81133161
N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
CID 113305699
4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 55060202
4-N-(3-butan-2-yloxyphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554865
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
3-N-(3-butan-2-yloxyphenyl)-2-methylbenzene-1,3-diamine
CID 63062068
2-(3-butan-2-yloxyanilino)pyridine-4-carbothioamide
CID 62327209
N-(3-butan-2-yloxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 62327728
1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 108777581

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine (CID 63548911) is N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine is CCC(C)Oc1cccc(Nc2cc(C)nc(Cl)n2)c1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine?
The InChIKey is LXTRIXLXXQGMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-11(3)20-13-7-5-6-12(9-13)18-14-8-10(2)17-15(16)19-14/h5-9,11H,4H2,1-3H3,(H,17,18,19).
What are the key properties of N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine?
N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 63548911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).