1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol

C12H20ClN3O — CID 107154942

IUPAC1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
SMILESCCc1c(Cl)ncnc1NCC(O)CC(C)C
InChIInChI=1S/C12H20ClN3O/c1-4-10-11(13)15-7-16-12(10)14-6-9(17)5-8(2)3/h7-9,17H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyANGSODSRRAYQFA-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.51
Rot. Bonds6

About 1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol

1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol (PubChem CID 107154942) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
PubChem CID107154942
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
SMILESCCc1c(Cl)ncnc1NCC(O)CC(C)C
InChIInChI=1S/C12H20ClN3O/c1-4-10-11(13)15-7-16-12(10)14-6-9(17)5-8(2)3/h7-9,17H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyANGSODSRRAYQFA-UHFFFAOYSA-N
XLogP2.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol 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

4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159733
1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159905
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 112695149
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80850758
1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
CID 80906559
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106013674
1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159718
6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79350090
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167654
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol (CID 107154942) is 1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol is CCc1c(Cl)ncnc1NCC(O)CC(C)C.
What is the InChIKey of 1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The InChIKey is ANGSODSRRAYQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-4-10-11(13)15-7-16-12(10)14-6-9(17)5-8(2)3/h7-9,17H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol?
1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107154942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).