N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine

C8H12BrN3 — CID 130113665

IUPACN-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Br)n1
InChIInChI=1S/C8H12BrN3/c1-6(2)11-5-7-3-4-10-8(9)12-7/h3-4,6,11H,5H2,1-2H3
InChIKeySOMUSWHLXLPREE-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.74
Rot. Bonds3

About N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine

N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine (PubChem CID 130113665) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine
PubChem CID130113665
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC NameN-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Br)n1
InChIInChI=1S/C8H12BrN3/c1-6(2)11-5-7-3-4-10-8(9)12-7/h3-4,6,11H,5H2,1-2H3
InChIKeySOMUSWHLXLPREE-UHFFFAOYSA-N
XLogP1.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114824
N-[[2-(2-methylcyclopropyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65421319
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62747932
N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine
CID 116898565
N-[[2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62749520
N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 113455494
N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65402599
N-[[2-(butan-2-ylsulfanylmethyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65141143
N-[[2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 106849745
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328670
N-[[2-(1-methoxycycloheptyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778527

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine (CID 130113665) is N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine is CC(C)NCc1ccnc(Br)n1.
What is the InChIKey of N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine?
The InChIKey is SOMUSWHLXLPREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-6(2)11-5-7-3-4-10-8(9)12-7/h3-4,6,11H,5H2,1-2H3.
What are the key properties of N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine?
N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine has a molecular weight of 230.11 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 130113665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).