[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

C13H19N5 — CID 55059469

IUPAC[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCCc1nccn1-c1cnc(C(C)C)nc1CN
InChIInChI=1S/C13H19N5/c1-4-12-15-5-6-18(12)11-8-16-13(9(2)3)17-10(11)7-14/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyKVTYSUYFRXJMIS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.81
Rot. Bonds4

About [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 55059469) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID55059469
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCCc1nccn1-c1cnc(C(C)C)nc1CN
InChIInChI=1S/C13H19N5/c1-4-12-15-5-6-18(12)11-8-16-13(9(2)3)17-10(11)7-14/h5-6,8-9H,4,7,14H2,1-3H3
InChIKeyKVTYSUYFRXJMIS-UHFFFAOYSA-N
XLogP1.81
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 62289744
[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62300497
[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62298929
[5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295234
[5-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 114460749
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633
[2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189867
[5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62299989
N-ethyl-6-(2-ethylimidazol-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80992986
4-(aminomethyl)-N-methyl-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine
CID 62285825
(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
CID 55182802
4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
CID 62300682

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 55059469) is [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is CCc1nccn1-c1cnc(C(C)C)nc1CN.
What is the InChIKey of [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is KVTYSUYFRXJMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-12-15-5-6-18(12)11-8-16-13(9(2)3)17-10(11)7-14/h5-6,8-9H,4,7,14H2,1-3H3.
What are the key properties of [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 55059469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).