5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine

C13H23ClN4O — CID 80821249

IUPAC5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
SMILESCCC(CC)N(CCOC)c1nc(NC)ncc1Cl
InChIInChI=1S/C13H23ClN4O/c1-5-10(6-2)18(7-8-19-4)12-11(14)9-16-13(15-3)17-12/h9-10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGQAULYJCMOFZDX-UHFFFAOYSA-N
MW286.81 g/mol
LogP2.81
Rot. Bonds8

About 5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine

5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine (PubChem CID 80821249) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
PubChem CID80821249
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
SMILESCCC(CC)N(CCOC)c1nc(NC)ncc1Cl
InChIInChI=1S/C13H23ClN4O/c1-5-10(6-2)18(7-8-19-4)12-11(14)9-16-13(15-3)17-12/h9-10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGQAULYJCMOFZDX-UHFFFAOYSA-N
XLogP2.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80796727
N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80905477
5-chloro-2-N-ethyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80795233
5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 82952991
2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811446
5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80808649
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80752118
5-bromo-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 80820388
5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845870
4-N-(2-methoxyethyl)-6-N-methyl-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80787048
5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774761

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine (CID 80821249) is 5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine is CCC(CC)N(CCOC)c1nc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
The InChIKey is GQAULYJCMOFZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-5-10(6-2)18(7-8-19-4)12-11(14)9-16-13(15-3)17-12/h9-10H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine?
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine has a molecular weight of 286.81 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80821249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).