4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine

C13H18N6 — CID 70768454

IUPAC4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC(c3ncc[nH]3)CC2)nc(N)n1
InChIInChI=1S/C13H18N6/c1-9-8-11(18-13(14)17-9)19-6-2-10(3-7-19)12-15-4-5-16-12/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyXBRGOISXZJROFP-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.47
Rot. Bonds2

About 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine

4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 70768454) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID70768454
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCC(c3ncc[nH]3)CC2)nc(N)n1
InChIInChI=1S/C13H18N6/c1-9-8-11(18-13(14)17-9)19-6-2-10(3-7-19)12-15-4-5-16-12/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyXBRGOISXZJROFP-UHFFFAOYSA-N
XLogP1.47
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine (CID 70768454) is 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCC(c3ncc[nH]3)CC2)nc(N)n1.
What is the InChIKey of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is XBRGOISXZJROFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-8-11(18-13(14)17-9)19-6-2-10(3-7-19)12-15-4-5-16-12/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 258.33 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 70768454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).