4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine

C16H22N4O — CID 80941469

IUPAC4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCOc1ccc(Nc2cc(N)nc(CCC)n2)cc1
InChIInChI=1S/C16H22N4O/c1-3-5-15-19-14(17)11-16(20-15)18-12-6-8-13(9-7-12)21-10-4-2/h6-9,11H,3-5,10H2,1-2H3,(H3,17,18,19,20)
InChIKeySIMUEVXLRVYWKM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.54
Rot. Bonds7

About 4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine

4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80941469) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80941469
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCOc1ccc(Nc2cc(N)nc(CCC)n2)cc1
InChIInChI=1S/C16H22N4O/c1-3-5-15-19-14(17)11-16(20-15)18-12-6-8-13(9-7-12)21-10-4-2/h6-9,11H,3-5,10H2,1-2H3,(H3,17,18,19,20)
InChIKeySIMUEVXLRVYWKM-UHFFFAOYSA-N
XLogP3.54
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.54
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
6-hydrazinyl-N-(4-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947745
4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 82861835
2-propyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954909
4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954632
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80907992
2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 80955700
4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80940431
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
CID 106750723
2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908069

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine (CID 80941469) is 4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine is CCCOc1ccc(Nc2cc(N)nc(CCC)n2)cc1.
What is the InChIKey of 4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is SIMUEVXLRVYWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-5-15-19-14(17)11-16(20-15)18-12-6-8-13(9-7-12)21-10-4-2/h6-9,11H,3-5,10H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine?
4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80941469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).