5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine

C13H23BrN4O2 — CID 80806443

IUPAC5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(CCCOC)CCOC)n1
InChIInChI=1S/C13H23BrN4O2/c1-4-15-13-16-10-11(14)12(17-13)18(7-9-20-3)6-5-8-19-2/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyVUMZYGLOBMSFSC-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.16
Rot. Bonds10

About 5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine (PubChem CID 80806443) has the molecular formula C13H23BrN4O2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
PubChem CID80806443
Molecular FormulaC13H23BrN4O2
Molecular Weight347.26 g/mol
Exact Mass346.10
IUPAC Name5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(N(CCCOC)CCOC)n1
InChIInChI=1S/C13H23BrN4O2/c1-4-15-13-16-10-11(14)12(17-13)18(7-9-20-3)6-5-8-19-2/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyVUMZYGLOBMSFSC-UHFFFAOYSA-N
XLogP2.16
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-N-ethyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80795233
5-bromo-2-N-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871827
5-bromo-2-N-ethyl-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80813928
5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80808649
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80754474
5-bromo-2-N-ethyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4-diamine
CID 80774882
N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 66341638
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80805068
5-bromo-4-N-butan-2-yl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80776693
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811125

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine (CID 80806443) is 5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine is CCNc1ncc(Br)c(N(CCCOC)CCOC)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The InChIKey is VUMZYGLOBMSFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O2/c1-4-15-13-16-10-11(14)12(17-13)18(7-9-20-3)6-5-8-19-2/h10H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine has a molecular weight of 347.26 g/mol, XLogP of 2.16, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80806443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).