5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine

C13H16BrN5 — CID 80781022

IUPAC5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NC(C)c2ccccn2)n1
InChIInChI=1S/C13H16BrN5/c1-3-15-13-17-8-10(14)12(19-13)18-9(2)11-6-4-5-7-16-11/h4-9H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyJPSSMHVOYKEVRJ-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.24
Rot. Bonds5

About 5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80781022) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine
PubChem CID80781022
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NC(C)c2ccccn2)n1
InChIInChI=1S/C13H16BrN5/c1-3-15-13-17-8-10(14)12(19-13)18-9(2)11-6-4-5-7-16-11/h4-9H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyJPSSMHVOYKEVRJ-UHFFFAOYSA-N
XLogP3.24
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 79075980
5-bromo-2-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802050
5-bromo-2-N-ethyl-4-N-(4-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80782949
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779857
5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 106390355
5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807669
5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882339
5-bromo-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80801198
5-bromo-4-N-(2-tert-butylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80822328
5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80754775
3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 79531784
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine (CID 80781022) is 5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine is CCNc1ncc(Br)c(NC(C)c2ccccn2)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is JPSSMHVOYKEVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-3-15-13-17-8-10(14)12(19-13)18-9(2)11-6-4-5-7-16-11/h4-9H,3H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 322.21 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80781022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).