5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

C13H19N5 — CID 50955418

IUPAC5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)Cc1nccn1C
InChIInChI=1S/C13H19N5/c1-5-11-8-15-10(2)16-13(11)18(4)9-12-14-6-7-17(12)3/h6-8H,5,9H2,1-4H3
InChIKeyYLNXRJQUZVUZHG-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.72
Rot. Bonds4

About 5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 50955418) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID50955418
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)Cc1nccn1C
InChIInChI=1S/C13H19N5/c1-5-11-8-15-10(2)16-13(11)18(4)9-12-14-6-7-17(12)3/h6-8H,5,9H2,1-4H3
InChIKeyYLNXRJQUZVUZHG-UHFFFAOYSA-N
XLogP1.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 50955418) is 5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is CCc1cnc(C)nc1N(C)Cc1nccn1C.
What is the InChIKey of 5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is YLNXRJQUZVUZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-11-8-15-10(2)16-13(11)18(4)9-12-14-6-7-17(12)3/h6-8H,5,9H2,1-4H3.
What are the key properties of 5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50955418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).