N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

C15H22N6 — CID 162640825

IUPACN-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NCc3cn(C)cn3)n2)CC1
InChIInChI=1S/C15H22N6/c1-12-4-7-21(8-5-12)14-3-6-16-15(19-14)17-9-13-10-20(2)11-18-13/h3,6,10-12H,4-5,7-9H2,1-2H3,(H,16,17,19)
InChIKeyPWKAYICUBVNJAZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.06
Rot. Bonds4

About N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 162640825) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID162640825
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NCc3cn(C)cn3)n2)CC1
InChIInChI=1S/C15H22N6/c1-12-4-7-21(8-5-12)14-3-6-16-15(19-14)17-9-13-10-20(2)11-18-13/h3,6,10-12H,4-5,7-9H2,1-2H3,(H,16,17,19)
InChIKeyPWKAYICUBVNJAZ-UHFFFAOYSA-N
XLogP2.06
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 162640825) is N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is CC1CCN(c2ccnc(NCc3cn(C)cn3)n2)CC1.
What is the InChIKey of N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is PWKAYICUBVNJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-12-4-7-21(8-5-12)14-3-6-16-15(19-14)17-9-13-10-20(2)11-18-13/h3,6,10-12H,4-5,7-9H2,1-2H3,(H,16,17,19).
What are the key properties of N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-4-yl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 162640825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).