4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine

C15H28N4O — CID 80983313

IUPAC4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NC(C)COCC)n1
InChIInChI=1S/C15H28N4O/c1-6-9-13-18-14(16-7-2)12(5)15(19-13)17-11(4)10-20-8-3/h11H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyFNJXVBRDSHSCMC-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.01
Rot. Bonds9

About 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine

4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80983313) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80983313
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NC(C)COCC)n1
InChIInChI=1S/C15H28N4O/c1-6-9-13-18-14(16-7-2)12(5)15(19-13)17-11(4)10-20-8-3/h11H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyFNJXVBRDSHSCMC-UHFFFAOYSA-N
XLogP3.01
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80813302
(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80992204
N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80903132
N-ethyl-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propan-1-ol
CID 80993320
6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine
CID 80991797
6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074384
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 114944722
6-N,2-diethyl-5-methyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80987059
ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate
CID 80985906
N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]-2-propylpyrimidin-4-amine
CID 106451466
4-N-(3-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982288

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine (CID 80983313) is 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)c(C)c(NC(C)COCC)n1.
What is the InChIKey of 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is FNJXVBRDSHSCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-9-13-18-14(16-7-2)12(5)15(19-13)17-11(4)10-20-8-3/h11H,6-10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80983313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).