6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine

C10H15BrN4O — CID 103340783

IUPAC6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCN(CCOC)c1nc(N)cc(Br)n1
InChIInChI=1S/C10H15BrN4O/c1-3-4-15(5-6-16-2)10-13-8(11)7-9(12)14-10/h3,7H,1,4-6H2,2H3,(H2,12,13,14)
InChIKeyHOLPFHVQUIGXQM-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.46
Rot. Bonds6

About 6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine

6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 103340783) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID103340783
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCN(CCOC)c1nc(N)cc(Br)n1
InChIInChI=1S/C10H15BrN4O/c1-3-4-15(5-6-16-2)10-13-8(11)7-9(12)14-10/h3,7H,1,4-6H2,2H3,(H2,12,13,14)
InChIKeyHOLPFHVQUIGXQM-UHFFFAOYSA-N
XLogP1.46
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 116796670
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796876
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate
CID 116796533
2-N,2-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 115978115
6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 116796338
6-bromo-2-N-ethyl-2-N-methylpyrimidine-2,4-diamine
CID 116796401
(E)-3-[2-[2-methoxyethyl(prop-2-enyl)amino]pyrimidin-5-yl]prop-2-enoic acid
CID 103339644
4-N,4-N-bis(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 80794923
6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine
CID 103340205
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine
CID 103340085
1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339600
5-bromo-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline
CID 103339483

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine (CID 103340783) is 6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine is C=CCN(CCOC)c1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is HOLPFHVQUIGXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-3-4-15(5-6-16-2)10-13-8(11)7-9(12)14-10/h3,7H,1,4-6H2,2H3,(H2,12,13,14).
What are the key properties of 6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine?
6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 287.16 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 103340783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).