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

C17H24N4 — CID 104592591

IUPAC5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCC(C)c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-8-15-20-16(18)13(3)17(21-15)19-11-12(2)14-9-6-5-7-10-14/h5-7,9-10,12H,4,8,11H2,1-3H3,(H3,18,19,20,21)
InChIKeyKVNACNDUKDTHHR-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.54
Rot. Bonds6

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

5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 104592591) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
PubChem CID104592591
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCC(C)c2ccccc2)n1
InChIInChI=1S/C17H24N4/c1-4-8-15-20-16(18)13(3)17(21-15)19-11-12(2)14-9-6-5-7-10-14/h5-7,9-10,12H,4,8,11H2,1-3H3,(H3,18,19,20,21)
InChIKeyKVNACNDUKDTHHR-UHFFFAOYSA-N
XLogP3.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine
CID 80981407
5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146362
2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592555
1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 113493096
5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 113430292
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80981525
4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 107819112
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80986975
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 104830532
6-methyl-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591310

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine (CID 104592591) is 5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NCC(C)c2ccccc2)n1.
What is the InChIKey of 5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is KVNACNDUKDTHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-8-15-20-16(18)13(3)17(21-15)19-11-12(2)14-9-6-5-7-10-14/h5-7,9-10,12H,4,8,11H2,1-3H3,(H3,18,19,20,21).
What are the key properties of 5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine?
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 104592591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).