4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine

C15H20N4O — CID 80954632

IUPAC4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2ccc(OC)cc2C)n1
InChIInChI=1S/C15H20N4O/c1-4-5-14-18-13(16)9-15(19-14)17-12-7-6-11(20-3)8-10(12)2/h6-9H,4-5H2,1-3H3,(H3,16,17,18,19)
InChIKeyFXMHTUWMKXFNIQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.07
Rot. Bonds5

About 4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine

4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80954632) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80954632
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2ccc(OC)cc2C)n1
InChIInChI=1S/C15H20N4O/c1-4-5-14-18-13(16)9-15(19-14)17-12-7-6-11(20-3)8-10(12)2/h6-9H,4-5H2,1-3H3,(H3,16,17,18,19)
InChIKeyFXMHTUWMKXFNIQ-UHFFFAOYSA-N
XLogP3.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954383
4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80940431
4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80941469
4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine
CID 107794868
4-N-(2-bromo-5-methoxyphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80944386
6-hydrazinyl-N-(4-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947745
4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80949589
4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954438
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 82861835
2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile
CID 80945825

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine (CID 80954632) is 4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(Nc2ccc(OC)cc2C)n1.
What is the InChIKey of 4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is FXMHTUWMKXFNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-5-14-18-13(16)9-15(19-14)17-12-7-6-11(20-3)8-10(12)2/h6-9H,4-5H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine?
4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80954632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).