6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine

C16H24N6O — CID 126888192

IUPAC6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(CCc3nccn3C)CC2)ncn1
InChIInChI=1S/C16H24N6O/c1-21-10-6-17-15(21)5-9-22-7-3-13(4-8-22)20-14-11-16(23-2)19-12-18-14/h6,10-13H,3-5,7-9H2,1-2H3,(H,18,19,20)
InChIKeyNINPFOHDPSPANC-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.34
Rot. Bonds6

About 6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine

6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126888192) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126888192
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(CCc3nccn3C)CC2)ncn1
InChIInChI=1S/C16H24N6O/c1-21-10-6-17-15(21)5-9-22-7-3-13(4-8-22)20-14-11-16(23-2)19-12-18-14/h6,10-13H,3-5,7-9H2,1-2H3,(H,18,19,20)
InChIKeyNINPFOHDPSPANC-UHFFFAOYSA-N
XLogP1.34
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine (CID 126888192) is 6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine is COc1cc(NC2CCN(CCc3nccn3C)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is NINPFOHDPSPANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-21-10-6-17-15(21)5-9-22-7-3-13(4-8-22)20-14-11-16(23-2)19-12-18-14/h6,10-13H,3-5,7-9H2,1-2H3,(H,18,19,20).
What are the key properties of 6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126888192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).