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

C15H20N4O — CID 80825505

IUPAC4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccc(OC)cc1C
InChIInChI=1S/C15H20N4O/c1-4-5-12-14(16)17-9-18-15(12)19-13-7-6-11(20-3)8-10(13)2/h6-9H,4-5H2,1-3H3,(H3,16,17,18,19)
InChIKeyICRANIFYDDQZIH-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.07
Rot. Bonds5

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

4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80825505) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80825505
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccc(OC)cc1C
InChIInChI=1S/C15H20N4O/c1-4-5-12-14(16)17-9-18-15(12)19-13-7-6-11(20-3)8-10(13)2/h6-9H,4-5H2,1-3H3,(H3,16,17,18,19)
InChIKeyICRANIFYDDQZIH-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

6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
CID 80805047
5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80824993
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80736789
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768499
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80822866
N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80901649
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine (CID 80825505) is 4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1Nc1ccc(OC)cc1C.
What is the InChIKey of 4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is ICRANIFYDDQZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-5-12-14(16)17-9-18-15(12)19-13-7-6-11(20-3)8-10(13)2/h6-9H,4-5H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine?
4-N-(4-methoxy-2-methylphenyl)-5-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)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80825505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).