4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine

C16H22N4 — CID 80949951

IUPAC4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCc2ccccc2CC)n1
InChIInChI=1S/C16H22N4/c1-3-7-15-19-14(17)10-16(20-15)18-11-13-9-6-5-8-12(13)4-2/h5-6,8-10H,3-4,7,11H2,1-2H3,(H3,17,18,19,20)
InChIKeyFMXUMHKWGXXZJB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.19
Rot. Bonds6

About 4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine

4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80949951) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80949951
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCc2ccccc2CC)n1
InChIInChI=1S/C16H22N4/c1-3-7-15-19-14(17)10-16(20-15)18-11-13-9-6-5-8-12(13)4-2/h5-6,8-10H,3-4,7,11H2,1-2H3,(H3,17,18,19,20)
InChIKeyFMXUMHKWGXXZJB-UHFFFAOYSA-N
XLogP3.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-methylthiophen-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950406
4-N-[(3-methyl-2-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950009
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946742
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106041164
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
6-N-ethyl-4-N-[(2-ethylphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826768
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
2-propylpyrimidine-4,6-diamine
CID 67304918
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80949951) is 4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(NCc2ccccc2CC)n1.
What is the InChIKey of 4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is FMXUMHKWGXXZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-7-15-19-14(17)10-16(20-15)18-11-13-9-6-5-8-12(13)4-2/h5-6,8-10H,3-4,7,11H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine?
4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80949951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).