N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine

C29H36N4O2 — CID 67198548

IUPACN-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine
SMILESCCOc1cc(CN2CCC(Nc3cnc(-c4ccccc4)nc3)CC2)ccc1OC1CCCC1
InChIInChI=1S/C29H36N4O2/c1-2-34-28-18-22(12-13-27(28)35-26-10-6-7-11-26)21-33-16-14-24(15-17-33)32-25-19-30-29(31-20-25)23-8-4-3-5-9-23/h3-5,8-9,12-13,18-20,24,26,32H,2,6-7,10-11,14-17,21H2,1H3
InChIKeyMVAQNWIQWKVOJT-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.94
Rot. Bonds9

About N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine

N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine (PubChem CID 67198548) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine.

Molecular Properties

Compound NameN-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine
PubChem CID67198548
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine
SMILESCCOc1cc(CN2CCC(Nc3cnc(-c4ccccc4)nc3)CC2)ccc1OC1CCCC1
InChIInChI=1S/C29H36N4O2/c1-2-34-28-18-22(12-13-27(28)35-26-10-6-7-11-26)21-33-16-14-24(15-17-33)32-25-19-30-29(31-20-25)23-8-4-3-5-9-23/h3-5,8-9,12-13,18-20,24,26,32H,2,6-7,10-11,14-17,21H2,1H3
InChIKeyMVAQNWIQWKVOJT-UHFFFAOYSA-N
XLogP5.94
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine with MolForge

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Related Compounds

N-[1-[(3-ethoxy-4-pentan-3-yloxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine
CID 67197218
1-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-1,2-bis(2-phenylpyrimidin-5-yl)hydrazine
CID 87608350
N-[1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpyridin-4-amine
CID 67197649
N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine
CID 24826467
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
CID 24826627
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
6-[(3,4-diethoxyphenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929977
N-[1-[(3-ethoxy-4-pentoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 69151737

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine?
The IUPAC name of N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine (CID 67198548) is N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine.
What is the SMILES notation for N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine?
The canonical SMILES for N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine is CCOc1cc(CN2CCC(Nc3cnc(-c4ccccc4)nc3)CC2)ccc1OC1CCCC1.
What is the InChIKey of N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine?
The InChIKey is MVAQNWIQWKVOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-2-34-28-18-22(12-13-27(28)35-26-10-6-7-11-26)21-33-16-14-24(15-17-33)32-25-19-30-29(31-20-25)23-8-4-3-5-9-23/h3-5,8-9,12-13,18-20,24,26,32H,2,6-7,10-11,14-17,21H2,1H3.
What are the key properties of N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine?
N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine has a molecular weight of 472.63 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-phenylpyrimidin-5-amine is sourced from PubChem (CID 67198548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).