4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine

C14H20N6O — CID 45250223

IUPAC4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCC(Cn3ccnc3)CC2)nc(N)n1
InChIInChI=1S/C14H20N6O/c1-21-13-8-12(17-14(15)18-13)20-5-2-11(3-6-20)9-19-7-4-16-10-19/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H2,15,17,18)
InChIKeyHJQJZYRJQXWOMJ-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.18
Rot. Bonds4

About 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine

4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine (PubChem CID 45250223) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
PubChem CID45250223
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCC(Cn3ccnc3)CC2)nc(N)n1
InChIInChI=1S/C14H20N6O/c1-21-13-8-12(17-14(15)18-13)20-5-2-11(3-6-20)9-19-7-4-16-10-19/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H2,15,17,18)
InChIKeyHJQJZYRJQXWOMJ-UHFFFAOYSA-N
XLogP1.18
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine (CID 45250223) is 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine is COc1cc(N2CCC(Cn3ccnc3)CC2)nc(N)n1.
What is the InChIKey of 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The InChIKey is HJQJZYRJQXWOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-21-13-8-12(17-14(15)18-13)20-5-2-11(3-6-20)9-19-7-4-16-10-19/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H2,15,17,18).
What are the key properties of 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine has a molecular weight of 288.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 45250223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).