2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol

C15H26ClN3O — CID 106257430

IUPAC2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCCc1nc(Cl)c(C)c(NCC(CC)(CC)CO)n1
InChIInChI=1S/C15H26ClN3O/c1-5-8-12-18-13(16)11(4)14(19-12)17-9-15(6-2,7-3)10-20/h20H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyWWQDYWWKAMXYFG-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.60
Rot. Bonds8

About 2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol

2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106257430) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106257430
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCCc1nc(Cl)c(C)c(NCC(CC)(CC)CO)n1
InChIInChI=1S/C15H26ClN3O/c1-5-8-12-18-13(16)11(4)14(19-12)17-9-15(6-2,7-3)10-20/h20H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyWWQDYWWKAMXYFG-UHFFFAOYSA-N
XLogP3.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol with MolForge

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Related Compounds

4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80978749
6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
CID 106197257
2-ethyl-2-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 106256710
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 114093887
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992471
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330
2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257443
2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80992097
2-ethyl-2-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 114164988
6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194545
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol (CID 106257430) is 2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol is CCCc1nc(Cl)c(C)c(NCC(CC)(CC)CO)n1.
What is the InChIKey of 2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is WWQDYWWKAMXYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-5-8-12-18-13(16)11(4)14(19-12)17-9-15(6-2,7-3)10-20/h20H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 299.85 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106257430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).