5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine

C21H30N4O — CID 155378317

IUPAC5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine
SMILESCCc1cnc(NC[C@@H]2[C@H](C)CCCN2Cc2ccc(OC)cc2)nc1
InChIInChI=1S/C21H30N4O/c1-4-17-12-22-21(23-13-17)24-14-20-16(2)6-5-11-25(20)15-18-7-9-19(26-3)10-8-18/h7-10,12-13,16,20H,4-6,11,14-15H2,1-3H3,(H,22,23,24)/t16-,20-/m1/s1
InChIKeyIAGGLHGNDHLQRH-OXQOHEQNSA-N
MW354.50 g/mol
LogP3.76
Rot. Bonds7

About 5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine

5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 155378317) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine
PubChem CID155378317
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine
SMILESCCc1cnc(NC[C@@H]2[C@H](C)CCCN2Cc2ccc(OC)cc2)nc1
InChIInChI=1S/C21H30N4O/c1-4-17-12-22-21(23-13-17)24-14-20-16(2)6-5-11-25(20)15-18-7-9-19(26-3)10-8-18/h7-10,12-13,16,20H,4-6,11,14-15H2,1-3H3,(H,22,23,24)/t16-,20-/m1/s1
InChIKeyIAGGLHGNDHLQRH-OXQOHEQNSA-N
XLogP3.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62580916
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 113457157
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62183133
(3R)-2-[(4-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211255
2-[(4-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930322
1-[1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115315996
1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine
CID 102449960
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
1-[(4-methoxyphenyl)methyl]-7-methyl-2,3,4,7-tetrahydroazepine
CID 102449959
1-[1-benzyl-2-[(4-methoxyphenyl)methyl]piperidin-3-yl]-1-phenylethanol
CID 21436179
4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 124951811

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine (CID 155378317) is 5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine is CCc1cnc(NC[C@@H]2[C@H](C)CCCN2Cc2ccc(OC)cc2)nc1.
What is the InChIKey of 5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is IAGGLHGNDHLQRH-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-17-12-22-21(23-13-17)24-14-20-16(2)6-5-11-25(20)15-18-7-9-19(26-3)10-8-18/h7-10,12-13,16,20H,4-6,11,14-15H2,1-3H3,(H,22,23,24)/t16-,20-/m1/s1.
What are the key properties of 5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine?
5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 354.50 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 155378317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).