N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

C19H29N5 — CID 77098033

IUPACN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCN(CCCc1nccn1C)Cc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C19H29N5/c1-23(11-6-9-18-20-10-12-24(18)2)15-16-13-21-19(22-14-16)17-7-4-3-5-8-17/h10,12-14,17H,3-9,11,15H2,1-2H3
InChIKeyQFLFEFOUSGKJCO-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.32
Rot. Bonds7

About N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 77098033) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID77098033
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCN(CCCc1nccn1C)Cc1cnc(C2CCCCC2)nc1
InChIInChI=1S/C19H29N5/c1-23(11-6-9-18-20-10-12-24(18)2)15-16-13-21-19(22-14-16)17-7-4-3-5-8-17/h10,12-14,17H,3-9,11,15H2,1-2H3
InChIKeyQFLFEFOUSGKJCO-UHFFFAOYSA-N
XLogP3.32
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 77098033) is N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is CN(CCCc1nccn1C)Cc1cnc(C2CCCCC2)nc1.
What is the InChIKey of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is QFLFEFOUSGKJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-23(11-6-9-18-20-10-12-24(18)2)15-16-13-21-19(22-14-16)17-7-4-3-5-8-17/h10,12-14,17H,3-9,11,15H2,1-2H3.
What are the key properties of N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 327.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 77098033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).