5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine

C14H23BrN4 — CID 80837449

IUPAC5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(N2CCCC(CC)CC2)n1
InChIInChI=1S/C14H23BrN4/c1-3-11-6-5-8-19(9-7-11)13-12(15)10-17-14(18-13)16-4-2/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyUJEVKIPJOOHTED-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.69
Rot. Bonds4

About 5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine

5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine (PubChem CID 80837449) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine
PubChem CID80837449
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(N2CCCC(CC)CC2)n1
InChIInChI=1S/C14H23BrN4/c1-3-11-6-5-8-19(9-7-11)13-12(15)10-17-14(18-13)16-4-2/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyUJEVKIPJOOHTED-UHFFFAOYSA-N
XLogP3.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine
CID 80837924
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80896698
5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80844726
5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 80763982
1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107678
4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
CID 80764338
5-bromo-N-ethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 80810634
5-bromo-4-(4-methyl-1,4-diazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80766308
[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917725
5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
CID 80823681
1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765748

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine (CID 80837449) is 5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine is CCNc1ncc(Br)c(N2CCCC(CC)CC2)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine?
The InChIKey is UJEVKIPJOOHTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-3-11-6-5-8-19(9-7-11)13-12(15)10-17-14(18-13)16-4-2/h10-11H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine?
5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine has a molecular weight of 327.27 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80837449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).