5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine

C13H19N5 — CID 79738670

IUPAC5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCCn1ccnc1Cc1ncnc(N)c1CC
InChIInChI=1S/C13H19N5/c1-3-6-18-7-5-15-12(18)8-11-10(4-2)13(14)17-9-16-11/h5,7,9H,3-4,6,8H2,1-2H3,(H2,14,16,17)
InChIKeyWTOFIRJXTZWQQQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.82
Rot. Bonds5

About 5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine

5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 79738670) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID79738670
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCCn1ccnc1Cc1ncnc(N)c1CC
InChIInChI=1S/C13H19N5/c1-3-6-18-7-5-15-12(18)8-11-10(4-2)13(14)17-9-16-11/h5,7,9H,3-4,6,8H2,1-2H3,(H2,14,16,17)
InChIKeyWTOFIRJXTZWQQQ-UHFFFAOYSA-N
XLogP1.82
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-methyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80976153
3-methyl-5-[(1-propylimidazol-2-yl)methyl]pyridin-2-amine
CID 83170955
N-ethyl-6-[(1-ethylimidazol-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79738464
3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831
4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 79734742
4-propan-2-yloxy-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 79738576
(1-propylimidazol-2-yl)methanesulfonyl chloride
CID 79761559
3-[2-(1-propylimidazol-2-yl)ethyl]pyridin-2-amine
CID 79761561
ethyl-[(1-propylimidazol-2-yl)methyl]azanium
CID 7147625
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
4-[(1-butylimidazol-2-yl)methyl]aniline
CID 70226116
1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760794

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 79738670) is 5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine is CCCn1ccnc1Cc1ncnc(N)c1CC.
What is the InChIKey of 5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is WTOFIRJXTZWQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-6-18-7-5-15-12(18)8-11-10(4-2)13(14)17-9-16-11/h5,7,9H,3-4,6,8H2,1-2H3,(H2,14,16,17).
What are the key properties of 5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79738670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).