6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine

C15H19N3O — CID 80503642

IUPAC6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(COc2cccc(C(C)C)c2)n1
InChIInChI=1S/C15H19N3O/c1-10(2)12-5-4-6-13(8-12)19-9-15-17-11(3)7-14(16)18-15/h4-8,10H,9H2,1-3H3,(H2,16,17,18)
InChIKeyVWJKNCCEUDSNOV-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.07
Rot. Bonds4

About 6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine

6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine (PubChem CID 80503642) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
PubChem CID80503642
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(COc2cccc(C(C)C)c2)n1
InChIInChI=1S/C15H19N3O/c1-10(2)12-5-4-6-13(8-12)19-9-15-17-11(3)7-14(16)18-15/h4-8,10H,9H2,1-3H3,(H2,16,17,18)
InChIKeyVWJKNCCEUDSNOV-UHFFFAOYSA-N
XLogP3.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-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

2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80655014
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55127790
4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 62464940
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 82716054
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082438
6-(methylamino)-2-[(3-propan-2-ylphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169751
2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine
CID 80654778
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80654917

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine (CID 80503642) is 6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine is Cc1cc(N)nc(COc2cccc(C(C)C)c2)n1.
What is the InChIKey of 6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
The InChIKey is VWJKNCCEUDSNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)12-5-4-6-13(8-12)19-9-15-17-11(3)7-14(16)18-15/h4-8,10H,9H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine?
6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80503642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).