5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine

C13H21BrN4O — CID 80820388

IUPAC5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(CCOC)C(C)C2CC2)n1
InChIInChI=1S/C13H21BrN4O/c1-9(10-4-5-10)18(6-7-19-3)12-11(14)8-16-13(15-2)17-12/h8-10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyKVNRLDWACUARIG-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.53
Rot. Bonds7

About 5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80820388) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80820388
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(CCOC)C(C)C2CC2)n1
InChIInChI=1S/C13H21BrN4O/c1-9(10-4-5-10)18(6-7-19-3)12-11(14)8-16-13(15-2)17-12/h8-10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyKVNRLDWACUARIG-UHFFFAOYSA-N
XLogP2.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-(methylaminomethyl)pyridin-2-amine
CID 62293675
5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80821177
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
6-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958355
6-bromo-2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 116796670
4-N-(1-cyclopropylethyl)-2-ethyl-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80934874
5-bromo-N-ethyl-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80901659
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80805687
3,5-dichloro-6-N-(1-cyclopropylethyl)-2-N-ethyl-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 102757373
5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carbonitrile
CID 103468029
methyl 5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-2-carboxylate
CID 114406087

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine (CID 80820388) is 5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Br)c(N(CCOC)C(C)C2CC2)n1.
What is the InChIKey of 5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is KVNRLDWACUARIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-9(10-4-5-10)18(6-7-19-3)12-11(14)8-16-13(15-2)17-12/h8-10H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 329.24 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80820388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).