N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine

C17H24N6 — CID 126889025

IUPACN-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(Cc2cncn2C2CC2)CC1
InChIInChI=1S/C17H24N6/c1-21(17-4-7-18-12-20-17)14-5-8-22(9-6-14)11-16-10-19-13-23(16)15-2-3-15/h4,7,10,12-15H,2-3,5-6,8-9,11H2,1H3
InChIKeyKRIVIKFDUUGKGO-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.11
Rot. Bonds5

About N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine

N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine (PubChem CID 126889025) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
PubChem CID126889025
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(Cc2cncn2C2CC2)CC1
InChIInChI=1S/C17H24N6/c1-21(17-4-7-18-12-20-17)14-5-8-22(9-6-14)11-16-10-19-13-23(16)15-2-3-15/h4,7,10,12-15H,2-3,5-6,8-9,11H2,1H3
InChIKeyKRIVIKFDUUGKGO-UHFFFAOYSA-N
XLogP2.11
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine (CID 126889025) is N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine is CN(c1ccncn1)C1CCN(Cc2cncn2C2CC2)CC1.
What is the InChIKey of N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine?
The InChIKey is KRIVIKFDUUGKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-21(17-4-7-18-12-20-17)14-5-8-22(9-6-14)11-16-10-19-13-23(16)15-2-3-15/h4,7,10,12-15H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine?
N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 126889025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).