5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine

C16H22N4 — CID 80981407

IUPAC5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NC(C)c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-8-14-19-15(17)11(2)16(20-14)18-12(3)13-9-6-5-7-10-13/h5-7,9-10,12H,4,8H2,1-3H3,(H3,17,18,19,20)
InChIKeyXMGNPOFRFWJWDN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds5

About 5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine

5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80981407) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80981407
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NC(C)c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-8-14-19-15(17)11(2)16(20-14)18-12(3)13-9-6-5-7-10-13/h5-7,9-10,12H,4,8H2,1-3H3,(H3,17,18,19,20)
InChIKeyXMGNPOFRFWJWDN-UHFFFAOYSA-N
XLogP3.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591
5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80987275
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 104830532
5-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 106390334
6-chloro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80978917
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
6-hydrazinyl-N-(1-phenylethyl)-2-propylpyrimidin-4-amine
CID 80947755
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358092
5-methyl-2-propyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80987707
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 106761086
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163416

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine (CID 80981407) is 5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NC(C)c2ccccc2)n1.
What is the InChIKey of 5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is XMGNPOFRFWJWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-8-14-19-15(17)11(2)16(20-14)18-12(3)13-9-6-5-7-10-13/h5-7,9-10,12H,4,8H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine?
5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).