1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

C12H20ClN3O — CID 80978160

IUPAC1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCCc1nc(Cl)c(C)c(N(C)CC(C)(C)O)n1
InChIInChI=1S/C12H20ClN3O/c1-6-9-14-10(13)8(2)11(15-9)16(5)7-12(3,4)17/h17H,6-7H2,1-5H3
InChIKeyAXGBOCBOPVXORI-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.21
Rot. Bonds4

About 1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 80978160) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID80978160
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCCc1nc(Cl)c(C)c(N(C)CC(C)(C)O)n1
InChIInChI=1S/C12H20ClN3O/c1-6-9-14-10(13)8(2)11(15-9)16(5)7-12(3,4)17/h17H,6-7H2,1-5H3
InChIKeyAXGBOCBOPVXORI-UHFFFAOYSA-N
XLogP2.21
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2,2-dimethylpropyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80971431
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80978159
6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
CID 112698439
6-chloro-N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80972382
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80972894
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 79555514
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80971305
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 79555384
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80978477
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 133334392
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (CID 80978160) is 1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is CCc1nc(Cl)c(C)c(N(C)CC(C)(C)O)n1.
What is the InChIKey of 1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is AXGBOCBOPVXORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-6-9-14-10(13)8(2)11(15-9)16(5)7-12(3,4)17/h17H,6-7H2,1-5H3.
What are the key properties of 1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80978160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).