N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine

C20H28N4O2 — CID 133472325

IUPACN-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NC2CCN(Cc3cc(OC)cc(OC)c3)C2)nc(C)n1
InChIInChI=1S/C20H28N4O2/c1-5-16-10-20(22-14(2)21-16)23-17-6-7-24(13-17)12-15-8-18(25-3)11-19(9-15)26-4/h8-11,17H,5-7,12-13H2,1-4H3,(H,21,22,23)
InChIKeyDRILAVUBZVHVFV-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.05
Rot. Bonds7

About N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine

N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 133472325) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID133472325
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NC2CCN(Cc3cc(OC)cc(OC)c3)C2)nc(C)n1
InChIInChI=1S/C20H28N4O2/c1-5-16-10-20(22-14(2)21-16)23-17-6-7-24(13-17)12-15-8-18(25-3)11-19(9-15)26-4/h8-11,17H,5-7,12-13H2,1-4H3,(H,21,22,23)
InChIKeyDRILAVUBZVHVFV-UHFFFAOYSA-N
XLogP3.05
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 139013055
6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine
CID 133460514
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110713
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419492
2-(4-aminophenyl)-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119897115
(3S)-1-[(3,5-dimethoxyphenyl)methyl]-N-[(1S)-1-(oxan-4-yl)ethyl]pyrrolidin-3-amine
CID 97233219
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-(3-methoxyphenyl)piperidin-4-amine
CID 133460647
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133472742
1-[3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 133472372
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 71921942

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine (CID 133472325) is N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NC2CCN(Cc3cc(OC)cc(OC)c3)C2)nc(C)n1.
What is the InChIKey of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is DRILAVUBZVHVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-5-16-10-20(22-14(2)21-16)23-17-6-7-24(13-17)12-15-8-18(25-3)11-19(9-15)26-4/h8-11,17H,5-7,12-13H2,1-4H3,(H,21,22,23).
What are the key properties of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133472325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).