4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine

C16H24N6O2 — CID 72910943

IUPAC4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCOCCn1ccnc1C1CCCN(c2cc(OC)nc(N)n2)C1
InChIInChI=1S/C16H24N6O2/c1-23-9-8-21-7-5-18-15(21)12-4-3-6-22(11-12)13-10-14(24-2)20-16(17)19-13/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H2,17,19,20)
InChIKeyLQRKKDWPZBUERJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.29
Rot. Bonds6

About 4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine

4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 72910943) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID72910943
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCOCCn1ccnc1C1CCCN(c2cc(OC)nc(N)n2)C1
InChIInChI=1S/C16H24N6O2/c1-23-9-8-21-7-5-18-15(21)12-4-3-6-22(11-12)13-10-14(24-2)20-16(17)19-13/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H2,17,19,20)
InChIKeyLQRKKDWPZBUERJ-UHFFFAOYSA-N
XLogP1.29
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine (CID 72910943) is 4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine is COCCn1ccnc1C1CCCN(c2cc(OC)nc(N)n2)C1.
What is the InChIKey of 4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is LQRKKDWPZBUERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-23-9-8-21-7-5-18-15(21)12-4-3-6-22(11-12)13-10-14(24-2)20-16(17)19-13/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72910943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).