2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol

C14H24ClN3O — CID 80972296

IUPAC2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(CCO)C(C)C
InChIInChI=1S/C14H24ClN3O/c1-9(2)18(7-8-19)12-10(3)11(15)16-13(17-12)14(4,5)6/h9,19H,7-8H2,1-6H3
InChIKeyAATMJQHWKMCWJO-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.94
Rot. Bonds4

About 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol

2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol (PubChem CID 80972296) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
PubChem CID80972296
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N(CCO)C(C)C
InChIInChI=1S/C14H24ClN3O/c1-9(2)18(7-8-19)12-10(3)11(15)16-13(17-12)14(4,5)6/h9,19H,7-8H2,1-6H3
InChIKeyAATMJQHWKMCWJO-UHFFFAOYSA-N
XLogP2.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972375
2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80993309
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972466
2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 63729146
3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80993315
2-tert-butyl-6-chloro-N,5-dimethyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81061593
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80978159
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80971580
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80972297
1-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80978477
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83186603
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol (CID 80972296) is 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol is Cc1c(Cl)nc(C(C)(C)C)nc1N(CCO)C(C)C.
What is the InChIKey of 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The InChIKey is AATMJQHWKMCWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-9(2)18(7-8-19)12-10(3)11(15)16-13(17-12)14(4,5)6/h9,19H,7-8H2,1-6H3.
What are the key properties of 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol has a molecular weight of 285.82 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 80972296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).