1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol

C13H22ClN3O2 — CID 106257270

IUPAC1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C13H22ClN3O2/c1-9(2)10-11(14)16-8-17-12(10)15-7-13(3,18)5-6-19-4/h8-9,18H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyJDEHNYRIITYPMW-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.45
Rot. Bonds7

About 1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106257270) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106257270
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C13H22ClN3O2/c1-9(2)10-11(14)16-8-17-12(10)15-7-13(3,18)5-6-19-4/h8-9,18H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyJDEHNYRIITYPMW-UHFFFAOYSA-N
XLogP2.45
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol with MolForge

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Related Compounds

6-chloro-N-(2,2-dimethylbutyl)-5-propan-2-ylpyrimidin-4-amine
CID 103463567
1-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257973
6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102699925
methyl 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 55229687
4-methoxy-2-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 114165086
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106192405
1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293481
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203057
4-methoxy-2-methyl-1-[(3-methylpyrazin-2-yl)amino]butan-2-ol
CID 106253528
N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 113293277
N-but-2-ynyl-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 106195802
6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol
CID 107854050

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106257270) is 1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1ncnc(Cl)c1C(C)C.
What is the InChIKey of 1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is JDEHNYRIITYPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-9(2)10-11(14)16-8-17-12(10)15-7-13(3,18)5-6-19-4/h8-9,18H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 287.79 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106257270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).