4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine

C20H24N6O — CID 96573599

IUPAC4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)nc(N)n1
InChIInChI=1S/C20H24N6O/c1-27-18-12-17(23-20(21)24-18)25-10-5-8-16(14-25)19-22-9-11-26(19)13-15-6-3-2-4-7-15/h2-4,6-7,9,11-12,16H,5,8,10,13-14H2,1H3,(H2,21,23,24)/t16-/m0/s1
InChIKeyGYIRRNADQBRZLZ-INIZCTEOSA-N
MW364.45 g/mol
LogP2.70
Rot. Bonds5

About 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine

4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine (PubChem CID 96573599) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
PubChem CID96573599
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)nc(N)n1
InChIInChI=1S/C20H24N6O/c1-27-18-12-17(23-20(21)24-18)25-10-5-8-16(14-25)19-22-9-11-26(19)13-15-6-3-2-4-7-15/h2-4,6-7,9,11-12,16H,5,8,10,13-14H2,1H3,(H2,21,23,24)/t16-/m0/s1
InChIKeyGYIRRNADQBRZLZ-INIZCTEOSA-N
XLogP2.70
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
CID 70723430
4-methyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
CID 72858908
2-methylsulfanyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97271296
2-methylsulfanyl-6-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 70760255
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
CID 96571031
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 96575726
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97200300
2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97282076
2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97131130
4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97285685
5-methyl-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70776652

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine (CID 96573599) is 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine is COc1cc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)nc(N)n1.
What is the InChIKey of 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The InChIKey is GYIRRNADQBRZLZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N6O/c1-27-18-12-17(23-20(21)24-18)25-10-5-8-16(14-25)19-22-9-11-26(19)13-15-6-3-2-4-7-15/h2-4,6-7,9,11-12,16H,5,8,10,13-14H2,1H3,(H2,21,23,24)/t16-/m0/s1.
What are the key properties of 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine has a molecular weight of 364.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 96573599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).