N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine

C16H20BrN5 — CID 171995684

IUPACN-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCN(c3ccc(Br)c(C)n3)C2)n1
InChIInChI=1S/C16H20BrN5/c1-11-6-8-18-16(19-11)21(3)13-7-9-22(10-13)15-5-4-14(17)12(2)20-15/h4-6,8,13H,7,9-10H2,1-3H3
InChIKeyXMZMGRJYMKGXPK-UHFFFAOYSA-N
MW362.28 g/mol
LogP2.97
Rot. Bonds3

About N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine

N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 171995684) has the molecular formula C16H20BrN5 and a molecular weight of 362.28 g/mol. Its IUPAC name is N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine
PubChem CID171995684
Molecular FormulaC16H20BrN5
Molecular Weight362.28 g/mol
Exact Mass361.09
IUPAC NameN-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCN(c3ccc(Br)c(C)n3)C2)n1
InChIInChI=1S/C16H20BrN5/c1-11-6-8-18-16(19-11)21(3)13-7-9-22(10-13)15-5-4-14(17)12(2)20-15/h4-6,8,13H,7,9-10H2,1-3H3
InChIKeyXMZMGRJYMKGXPK-UHFFFAOYSA-N
XLogP2.97
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 123144666
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 171998484
3-chloro-4-[3-[methyl-(4-methylpyrimidin-2-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 171996157
N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 136553102
2-chloro-6-[3-[methyl-(4-methylpyrimidin-2-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 171996720
N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 171998007
N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171999040
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126921798
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126922209
2-N,2-N,4-N-trimethyl-4-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172899884
1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid
CID 120964839

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine (CID 171995684) is N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine is Cc1ccnc(N(C)C2CCN(c3ccc(Br)c(C)n3)C2)n1.
What is the InChIKey of N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is XMZMGRJYMKGXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5/c1-11-6-8-18-16(19-11)21(3)13-7-9-22(10-13)15-5-4-14(17)12(2)20-15/h4-6,8,13H,7,9-10H2,1-3H3.
What are the key properties of N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine?
N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 362.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 171995684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).