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

C15H19BrN4O — CID 66300970

IUPAC5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccccn2)nc(COC)c1Br
InChIInChI=1S/C15H19BrN4O/c1-3-7-18-15-14(16)12(10-21-2)19-13(20-15)9-11-6-4-5-8-17-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyPBKZOYQQOLRSNS-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.19
Rot. Bonds7

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

5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66300970) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID66300970
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccccn2)nc(COC)c1Br
InChIInChI=1S/C15H19BrN4O/c1-3-7-18-15-14(16)12(10-21-2)19-13(20-15)9-11-6-4-5-8-17-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyPBKZOYQQOLRSNS-UHFFFAOYSA-N
XLogP3.19
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305362
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 66300576
5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 66300780
5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305558
5-bromo-6-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propylpyrimidin-4-amine
CID 66300767
5-bromo-2-(3-chloro-2-pyridinyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 103445158
5-bromo-2-(2-bromophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66300779
5-bromo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66298614
5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66299761
5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine
CID 66294937
5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 66292535
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 66300970) is 5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCCNc1nc(Cc2ccccn2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is PBKZOYQQOLRSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-3-7-18-15-14(16)12(10-21-2)19-13(20-15)9-11-6-4-5-8-17-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 351.25 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66300970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).