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

C13H19N5 — CID 72849082

IUPAC6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCCn1ccnc1CNc1cc(CC)ncn1
InChIInChI=1S/C13H19N5/c1-3-6-18-7-5-14-13(18)9-15-12-8-11(4-2)16-10-17-12/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,16,17)
InChIKeyOVJLOAIGZYKNAQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.26
Rot. Bonds6

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

6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 72849082) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID72849082
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCCn1ccnc1CNc1cc(CC)ncn1
InChIInChI=1S/C13H19N5/c1-3-6-18-7-5-14-13(18)9-15-12-8-11(4-2)16-10-17-12/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,16,17)
InChIKeyOVJLOAIGZYKNAQ-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 72849082) is 6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine is CCCn1ccnc1CNc1cc(CC)ncn1.
What is the InChIKey of 6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is OVJLOAIGZYKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-6-18-7-5-14-13(18)9-15-12-8-11(4-2)16-10-17-12/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine?
6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 72849082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).