5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine

C13H15BrN4 — CID 66303289

IUPAC5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccncc2)ncc1Br
InChIInChI=1S/C13H15BrN4/c1-2-5-16-13-11(14)9-17-12(18-13)8-10-3-6-15-7-4-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17,18)
InChIKeyQFFZZPPFONEIFM-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.05
Rot. Bonds5

About 5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine

5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 66303289) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID66303289
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccncc2)ncc1Br
InChIInChI=1S/C13H15BrN4/c1-2-5-16-13-11(14)9-17-12(18-13)8-10-3-6-15-7-4-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17,18)
InChIKeyQFFZZPPFONEIFM-UHFFFAOYSA-N
XLogP3.05
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 66304100
5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
CID 66302468
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 66302466
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66303082
N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268531
2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine
CID 62191844
5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
CID 66302872
5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 114554374
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
5-bromo-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66301653

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 66303289) is 5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine is CCCNc1nc(Cc2ccncc2)ncc1Br.
What is the InChIKey of 5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is QFFZZPPFONEIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-2-5-16-13-11(14)9-17-12(18-13)8-10-3-6-15-7-4-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine?
5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 307.19 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66303289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).