N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine

C22H32N4O2 — CID 68779447

IUPACN-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine
SMILESCCCc1cnc(NC2CCN(Cc3ccc(OC)c(OCC)c3)CC2)nc1
InChIInChI=1S/C22H32N4O2/c1-4-6-18-14-23-22(24-15-18)25-19-9-11-26(12-10-19)16-17-7-8-20(27-3)21(13-17)28-5-2/h7-8,13-15,19H,4-6,9-12,16H2,1-3H3,(H,23,24,25)
InChIKeyPSRDGCDNHDNMLY-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.91
Rot. Bonds9

About N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine

N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine (PubChem CID 68779447) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine
PubChem CID68779447
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine
SMILESCCCc1cnc(NC2CCN(Cc3ccc(OC)c(OCC)c3)CC2)nc1
InChIInChI=1S/C22H32N4O2/c1-4-6-18-14-23-22(24-15-18)25-19-9-11-26(12-10-19)16-17-7-8-20(27-3)21(13-17)28-5-2/h7-8,13-15,19H,4-6,9-12,16H2,1-3H3,(H,23,24,25)
InChIKeyPSRDGCDNHDNMLY-UHFFFAOYSA-N
XLogP3.91
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116
N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 68781594
5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 24855078
N-[1-[(3-ethoxy-4-pentoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 69151737
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazol-2-amine
CID 24740748
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
N-[1-[[3-ethoxy-4-iodo-5-(methoxymethoxy)phenyl]methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68787117
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-pyridin-3-ylpyrimidin-2-amine
CID 24872409
N-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-5,5,7,7-tetramethylfuro[3,4-d]pyrimidin-2-amine
CID 68782560
methyl 5-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67402144
5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine
CID 131936847

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine?
The IUPAC name of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine (CID 68779447) is N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine is CCCc1cnc(NC2CCN(Cc3ccc(OC)c(OCC)c3)CC2)nc1.
What is the InChIKey of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine?
The InChIKey is PSRDGCDNHDNMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-4-6-18-14-23-22(24-15-18)25-19-9-11-26(12-10-19)16-17-7-8-20(27-3)21(13-17)28-5-2/h7-8,13-15,19H,4-6,9-12,16H2,1-3H3,(H,23,24,25).
What are the key properties of N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine?
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine has a molecular weight of 384.52 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine is sourced from PubChem (CID 68779447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).