N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine

C16H18BrClN4 — CID 130908937

IUPACN-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine
SMILESCC1CN(Cc2ccccc2)CC1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C16H18BrClN4/c1-11-8-22(9-12-5-3-2-4-6-12)10-14(11)20-15-13(17)7-19-16(18)21-15/h2-7,11,14H,8-10H2,1H3,(H,19,20,21)
InChIKeyNSHGPDLWSZXDIR-UHFFFAOYSA-N
MW381.71 g/mol
LogP3.82
Rot. Bonds4

About N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine

N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine (PubChem CID 130908937) has the molecular formula C16H18BrClN4 and a molecular weight of 381.71 g/mol. Its IUPAC name is N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine
PubChem CID130908937
Molecular FormulaC16H18BrClN4
Molecular Weight381.71 g/mol
Exact Mass380.04
IUPAC NameN-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine
SMILESCC1CN(Cc2ccccc2)CC1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C16H18BrClN4/c1-11-8-22(9-12-5-3-2-4-6-12)10-14(11)20-15-13(17)7-19-16(18)21-15/h2-7,11,14H,8-10H2,1H3,(H,19,20,21)
InChIKeyNSHGPDLWSZXDIR-UHFFFAOYSA-N
XLogP3.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.71
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine
CID 133473298
N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine
CID 130891534
N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133473317
2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide
CID 133473240
5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine
CID 79075996
6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide
CID 133473284
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133473212
1-benzyl-3-bromo-4-methylpyrrolidine
CID 127008953
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 97055439

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine?
The IUPAC name of N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine (CID 130908937) is N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine.
What is the SMILES notation for N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine?
The canonical SMILES for N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine is CC1CN(Cc2ccccc2)CC1Nc1nc(Cl)ncc1Br.
What is the InChIKey of N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine?
The InChIKey is NSHGPDLWSZXDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN4/c1-11-8-22(9-12-5-3-2-4-6-12)10-14(11)20-15-13(17)7-19-16(18)21-15/h2-7,11,14H,8-10H2,1H3,(H,19,20,21).
What are the key properties of N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine?
N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine has a molecular weight of 381.71 g/mol, XLogP of 3.82, 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)-5-bromo-2-chloropyrimidin-4-amine is sourced from PubChem (CID 130908937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).