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

C17H23BrN6 — CID 171997335

IUPAC4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCc1cc(Br)cnc1N1CCC(N(C)c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C17H23BrN6/c1-12-7-13(18)9-19-17(12)24-6-5-14(10-24)23(4)16-8-15(22(2)3)20-11-21-16/h7-9,11,14H,5-6,10H2,1-4H3
InChIKeyZEQIENWPVCDKNC-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.72
Rot. Bonds4

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

4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (PubChem CID 171997335) has the molecular formula C17H23BrN6 and a molecular weight of 391.32 g/mol. Its IUPAC name is 4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
PubChem CID171997335
Molecular FormulaC17H23BrN6
Molecular Weight391.32 g/mol
Exact Mass390.12
IUPAC Name4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
SMILESCc1cc(Br)cnc1N1CCC(N(C)c2cc(N(C)C)ncn2)C1
InChIInChI=1S/C17H23BrN6/c1-12-7-13(18)9-19-17(12)24-6-5-14(10-24)23(4)16-8-15(22(2)3)20-11-21-16/h7-9,11,14H,5-6,10H2,1-4H3
InChIKeyZEQIENWPVCDKNC-UHFFFAOYSA-N
XLogP2.72
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171704985
5-bromo-2-[3-[[6-(dimethylamino)pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]benzonitrile
CID 171997781
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
CID 171996337
5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
CID 112699044
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163348279
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
4-N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 172882310
5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 63164355
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine (CID 171997335) is 4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is Cc1cc(Br)cnc1N1CCC(N(C)c2cc(N(C)C)ncn2)C1.
What is the InChIKey of 4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
The InChIKey is ZEQIENWPVCDKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN6/c1-12-7-13(18)9-19-17(12)24-6-5-14(10-24)23(4)16-8-15(22(2)3)20-11-21-16/h7-9,11,14H,5-6,10H2,1-4H3.
What are the key properties of 4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine?
4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine has a molecular weight of 391.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 171997335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).