N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C18H24N4 — CID 112933703

IUPACN-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)CNc1cc(-c2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C18H24N4/c1-14(2)13-19-17-12-16(15-8-4-3-5-9-15)20-18(21-17)22-10-6-7-11-22/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3,(H,19,20,21)
InChIKeyRROBQABPEPTBFY-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.81
Rot. Bonds5

About N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine

N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112933703) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112933703
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)CNc1cc(-c2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C18H24N4/c1-14(2)13-19-17-12-16(15-8-4-3-5-9-15)20-18(21-17)22-10-6-7-11-22/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3,(H,19,20,21)
InChIKeyRROBQABPEPTBFY-UHFFFAOYSA-N
XLogP3.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933707
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933735
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
N-[(2-methoxyphenyl)methyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934233
6-(azepan-1-yl)-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 112879821
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934210
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112933703) is N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine is CC(C)CNc1cc(-c2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is RROBQABPEPTBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14(2)13-19-17-12-16(15-8-4-3-5-9-15)20-18(21-17)22-10-6-7-11-22/h3-5,8-9,12,14H,6-7,10-11,13H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112933703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).