N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine

C18H24N4 — CID 133473298

IUPACN-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(NC2CN(Cc3ccccc3)CC2C)nc1C
InChIInChI=1S/C18H24N4/c1-13-9-19-18(20-15(13)3)21-17-12-22(10-14(17)2)11-16-7-5-4-6-8-16/h4-9,14,17H,10-12H2,1-3H3,(H,19,20,21)
InChIKeyNUJNPPSSSDNWSE-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.03
Rot. Bonds4

About N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine

N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine (PubChem CID 133473298) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine
PubChem CID133473298
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(NC2CN(Cc3ccccc3)CC2C)nc1C
InChIInChI=1S/C18H24N4/c1-13-9-19-18(20-15(13)3)21-17-12-22(10-14(17)2)11-16-7-5-4-6-8-16/h4-9,14,17H,10-12H2,1-3H3,(H,19,20,21)
InChIKeyNUJNPPSSSDNWSE-UHFFFAOYSA-N
XLogP3.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine
CID 130908937
2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide
CID 133473240
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133473317
(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 97055439
N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133473329
6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide
CID 133473284
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol
CID 130703423
N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133473212
1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
CID 133473353
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine (CID 133473298) is N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine is Cc1cnc(NC2CN(Cc3ccccc3)CC2C)nc1C.
What is the InChIKey of N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine?
The InChIKey is NUJNPPSSSDNWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-9-19-18(20-15(13)3)21-17-12-22(10-14(17)2)11-16-7-5-4-6-8-16/h4-9,14,17H,10-12H2,1-3H3,(H,19,20,21).
What are the key properties of N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine?
N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 133473298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).