N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine

C18H24N4 — CID 112855731

IUPACN-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCc1cccc(CC)c1Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C18H24N4/c1-3-14-8-7-9-15(4-2)18(14)21-16-12-17(20-13-19-16)22-10-5-6-11-22/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,19,20,21)
InChIKeyNUDMGBZZSHXPGE-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.95
Rot. Bonds5

About N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine

N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112855731) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112855731
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCc1cccc(CC)c1Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C18H24N4/c1-3-14-8-7-9-15(4-2)18(14)21-16-12-17(20-13-19-16)22-10-5-6-11-22/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,19,20,21)
InChIKeyNUDMGBZZSHXPGE-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858113
6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858173
4-N-(2,6-diethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856745
2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
CID 133448199
N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856110
1-[6-[2,6-di(propan-2-yl)anilino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192822
4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112855770
3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112864690
2-ethylsulfanyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 90544989

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112855731) is N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is CCc1cccc(CC)c1Nc1cc(N2CCCC2)ncn1.
What is the InChIKey of N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is NUDMGBZZSHXPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-14-8-7-9-15(4-2)18(14)21-16-12-17(20-13-19-16)22-10-5-6-11-22/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112855731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).