(1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine

C15H23N5 — CID 124842664

IUPAC(1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
SMILESCC(C)Cn1cncc1CN(C)[C@@H](C)c1ccncn1
InChIInChI=1S/C15H23N5/c1-12(2)8-20-11-17-7-14(20)9-19(4)13(3)15-5-6-16-10-18-15/h5-7,10-13H,8-9H2,1-4H3/t13-/m0/s1
InChIKeyCNKCOTZLIYQKLM-ZDUSSCGKSA-N
MW273.38 g/mol
LogP2.52
Rot. Bonds6

About (1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine

(1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine (PubChem CID 124842664) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
PubChem CID124842664
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name(1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
SMILESCC(C)Cn1cncc1CN(C)[C@@H](C)c1ccncn1
InChIInChI=1S/C15H23N5/c1-12(2)8-20-11-17-7-14(20)9-19(4)13(3)15-5-6-16-10-18-15/h5-7,10-13H,8-9H2,1-4H3/t13-/m0/s1
InChIKeyCNKCOTZLIYQKLM-ZDUSSCGKSA-N
XLogP2.52
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine?
The IUPAC name of (1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine (CID 124842664) is (1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for (1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine?
The canonical SMILES for (1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine is CC(C)Cn1cncc1CN(C)[C@@H](C)c1ccncn1.
What is the InChIKey of (1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine?
The InChIKey is CNKCOTZLIYQKLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5/c1-12(2)8-20-11-17-7-14(20)9-19(4)13(3)15-5-6-16-10-18-15/h5-7,10-13H,8-9H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine?
(1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 124842664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).