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

C14H24ClN3O — CID 80978159

IUPAC1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(C)CC(C)(C)O
InChIInChI=1S/C14H24ClN3O/c1-9-10(15)16-12(13(2,3)4)17-11(9)18(7)8-14(5,6)19/h19H,8H2,1-7H3
InChIKeyIBOIVSQWJSJXMY-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.94
Rot. Bonds3

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

1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 80978159) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID80978159
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(C)CC(C)(C)O
InChIInChI=1S/C14H24ClN3O/c1-9-10(15)16-12(13(2,3)4)17-11(9)18(7)8-14(5,6)19/h19H,8H2,1-7H3
InChIKeyIBOIVSQWJSJXMY-UHFFFAOYSA-N
XLogP2.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80978477
1-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80978160
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 81007045
3-[[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80977886
2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81061593
2-tert-butyl-6-chloro-N-(cyclobutylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 80972664
N-benzyl-2-tert-butyl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 80973830
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972296
2-tert-butyl-6-chloro-N,5-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80971681
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80971580
6-chloro-N-(2,2-dimethylpropyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80971431
2-tert-butyl-6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
CID 80977507

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (CID 80978159) is 1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is Cc1c(Cl)nc(C(C)(C)C)nc1N(C)CC(C)(C)O.
What is the InChIKey of 1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is IBOIVSQWJSJXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-9-10(15)16-12(13(2,3)4)17-11(9)18(7)8-14(5,6)19/h19H,8H2,1-7H3.
What are the key properties of 1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 285.82 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80978159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).