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

C15H19BrN4 — CID 66305362

IUPAC5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccn2)nc(NCC)c1Br
InChIInChI=1S/C15H19BrN4/c1-3-7-12-14(16)15(17-4-2)20-13(19-12)10-11-8-5-6-9-18-11/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,19,20)
InChIKeyNZCAMWAGNWQMTL-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.61
Rot. Bonds6

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

5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66305362) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID66305362
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccn2)nc(NCC)c1Br
InChIInChI=1S/C15H19BrN4/c1-3-7-12-14(16)15(17-4-2)20-13(19-12)10-11-8-5-6-9-18-11/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,19,20)
InChIKeyNZCAMWAGNWQMTL-UHFFFAOYSA-N
XLogP3.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305558
5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 66292535
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66300970
5-bromo-N-ethyl-2-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66305359
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66306756
5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine
CID 66307752
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-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305550
2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66306395
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305162

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 66305362) is 5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(Cc2ccccn2)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is NZCAMWAGNWQMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-3-7-12-14(16)15(17-4-2)20-13(19-12)10-11-8-5-6-9-18-11/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,19,20).
What are the key properties of 5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 335.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66305362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).