N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine

C14H21N5 — CID 77083052

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine
SMILESCCc1nccc(CN(C)Cc2nccn2CC)n1
InChIInChI=1S/C14H21N5/c1-4-13-15-7-6-12(17-13)10-18(3)11-14-16-8-9-19(14)5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeySQAHTTDISQJBIP-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.89
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine

N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine (PubChem CID 77083052) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine
PubChem CID77083052
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine
SMILESCCc1nccc(CN(C)Cc2nccn2CC)n1
InChIInChI=1S/C14H21N5/c1-4-13-15-7-6-12(17-13)10-18(3)11-14-16-8-9-19(14)5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeySQAHTTDISQJBIP-UHFFFAOYSA-N
XLogP1.89
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine (CID 77083052) is N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine is CCc1nccc(CN(C)Cc2nccn2CC)n1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine?
The InChIKey is SQAHTTDISQJBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-13-15-7-6-12(17-13)10-18(3)11-14-16-8-9-19(14)5-2/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine?
N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-1-(2-ethylpyrimidin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 77083052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).