1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

C13H22ClN3O — CID 107154937

IUPAC1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCCc1nc(Cl)cc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C13H22ClN3O/c1-5-11-16-10(14)6-12(17-11)15-8-9(18)7-13(2,3)4/h6,9,18H,5,7-8H2,1-4H3,(H,15,16,17)
InChIKeyJFVNSHJFLOOCMP-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.90
Rot. Bonds5

About 1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107154937) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107154937
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCCc1nc(Cl)cc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C13H22ClN3O/c1-5-11-16-10(14)6-12(17-11)15-8-9(18)7-13(2,3)4/h6,9,18H,5,7-8H2,1-4H3,(H,15,16,17)
InChIKeyJFVNSHJFLOOCMP-UHFFFAOYSA-N
XLogP2.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145568
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159526
1-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159530
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine
CID 114117271
1-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159606
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279614
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159494
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (CID 107154937) is 1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is CCc1nc(Cl)cc(NCC(O)CC(C)(C)C)n1.
What is the InChIKey of 1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is JFVNSHJFLOOCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-5-11-16-10(14)6-12(17-11)15-8-9(18)7-13(2,3)4/h6,9,18H,5,7-8H2,1-4H3,(H,15,16,17).
What are the key properties of 1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107154937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).