N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine

C13H15BrN4 — CID 139019891

IUPACN-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(NCc2cncc(Br)c2)n1
InChIInChI=1S/C13H15BrN4/c1-9(2)13-16-4-3-12(18-13)17-7-10-5-11(14)8-15-6-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChIKeyKXLFRVIQBKKRMA-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.37
Rot. Bonds4

About N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine

N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 139019891) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID139019891
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nccc(NCc2cncc(Br)c2)n1
InChIInChI=1S/C13H15BrN4/c1-9(2)13-16-4-3-12(18-13)17-7-10-5-11(14)8-15-6-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChIKeyKXLFRVIQBKKRMA-UHFFFAOYSA-N
XLogP3.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-propan-2-ylpyrimidin-4-amine
CID 164867803
N-[(4-ethylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133304175
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115580893
N'-(2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83828266
N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
CID 139594069
N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
CID 104796938
4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956053
2-N-[(5-bromo-3-pyridinyl)methyl]-1-N-tert-butylpropane-1,2-diamine
CID 113407504
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
N-[(5-bromo-3-pyridinyl)methyl]-3,4-dimethylaniline
CID 104796669
(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104797063
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine (CID 139019891) is N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nccc(NCc2cncc(Br)c2)n1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is KXLFRVIQBKKRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-9(2)13-16-4-3-12(18-13)17-7-10-5-11(14)8-15-6-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 307.19 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 139019891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).