5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine

C14H17BrN4 — CID 66305558

IUPAC5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccn2)nc(NC)c1Br
InChIInChI=1S/C14H17BrN4/c1-3-6-11-13(15)14(16-2)19-12(18-11)9-10-7-4-5-8-17-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,18,19)
InChIKeyIUYGOMKHTZHUKC-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.22
Rot. Bonds5

About 5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine

5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66305558) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID66305558
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccn2)nc(NC)c1Br
InChIInChI=1S/C14H17BrN4/c1-3-6-11-13(15)14(16-2)19-12(18-11)9-10-7-4-5-8-17-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,18,19)
InChIKeyIUYGOMKHTZHUKC-UHFFFAOYSA-N
XLogP3.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305362
5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 66292535
5-bromo-2-[(2-fluorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305152
5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66307338
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66300970
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305550
5-bromo-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 66304757
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66304952
5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305753
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 66305558) is 5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(Cc2ccccn2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is IUYGOMKHTZHUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-6-11-13(15)14(16-2)19-12(18-11)9-10-7-4-5-8-17-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,16,18,19).
What are the key properties of 5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 321.22 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66305558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).