N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine

C16H24N6 — CID 126889018

IUPACN-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(CCc2cncn2C)CC1
InChIInChI=1S/C16H24N6/c1-20-13-18-11-15(20)6-10-22-8-4-14(5-9-22)21(2)16-3-7-17-12-19-16/h3,7,11-14H,4-6,8-10H2,1-2H3
InChIKeyGHXIYXWRSWEAAF-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.35
Rot. Bonds5

About N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine

N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126889018) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126889018
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(CCc2cncn2C)CC1
InChIInChI=1S/C16H24N6/c1-20-13-18-11-15(20)6-10-22-8-4-14(5-9-22)21(2)16-3-7-17-12-19-16/h3,7,11-14H,4-6,8-10H2,1-2H3
InChIKeyGHXIYXWRSWEAAF-UHFFFAOYSA-N
XLogP1.35
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine (CID 126889018) is N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine is CN(c1ccncn1)C1CCN(CCc2cncn2C)CC1.
What is the InChIKey of N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is GHXIYXWRSWEAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-20-13-18-11-15(20)6-10-22-8-4-14(5-9-22)21(2)16-3-7-17-12-19-16/h3,7,11-14H,4-6,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126889018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).