4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine

C15H20N4O — CID 80955939

IUPAC4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCOc1ccc(C)cc1Nc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C15H20N4O/c1-9(2)15-18-13(16)8-14(19-15)17-11-7-10(3)5-6-12(11)20-4/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeyDXSKPBSDBZNWPF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.24
Rot. Bonds4

About 4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80955939) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80955939
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCOc1ccc(C)cc1Nc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C15H20N4O/c1-9(2)15-18-13(16)8-14(19-15)17-11-7-10(3)5-6-12(11)20-4/h5-9H,1-4H3,(H3,16,17,18,19)
InChIKeyDXSKPBSDBZNWPF-UHFFFAOYSA-N
XLogP3.24
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
CID 80763447
4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 107639116
2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114765717
2-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-2,3-diamine
CID 81131819
N-(2-methoxy-5-methylphenyl)-4-methylquinolin-2-amine
CID 619056
4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955693
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112930956
4-N-(2-methoxy-5-methylphenyl)-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866363
4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875694
4-N-(3-chloro-4-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956194
6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849615

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80955939) is 4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine is COc1ccc(C)cc1Nc1cc(N)nc(C(C)C)n1.
What is the InChIKey of 4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is DXSKPBSDBZNWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(2)15-18-13(16)8-14(19-15)17-11-7-10(3)5-6-12(11)20-4/h5-9H,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80955939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).