2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol

C13H22ClN3O — CID 80972375

IUPAC2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCc1c(Cl)nc(C(C)C)nc1N(CCO)C(C)C
InChIInChI=1S/C13H22ClN3O/c1-8(2)12-15-11(14)10(5)13(16-12)17(6-7-18)9(3)4/h8-9,18H,6-7H2,1-5H3
InChIKeyNYOSPVAUDKHRAO-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.77
Rot. Bonds5

About 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol

2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol (PubChem CID 80972375) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol
PubChem CID80972375
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCc1c(Cl)nc(C(C)C)nc1N(CCO)C(C)C
InChIInChI=1S/C13H22ClN3O/c1-8(2)12-15-11(14)10(5)13(16-12)17(6-7-18)9(3)4/h8-9,18H,6-7H2,1-5H3
InChIKeyNYOSPVAUDKHRAO-UHFFFAOYSA-N
XLogP2.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-ethyl-5-methyl-N,2-di(propan-2-yl)pyrimidin-4-amine
CID 80970520
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972296
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972466
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80980373
2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 63729146
3-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-ethylamino]propanenitrile
CID 80971702
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80972297
6-chloro-N-ethyl-5-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80971509
2-[(3-aminopyrazin-2-yl)-propan-2-ylamino]ethanol
CID 102986225
6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80972238
2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80993309
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80994550

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol (CID 80972375) is 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol is Cc1c(Cl)nc(C(C)C)nc1N(CCO)C(C)C.
What is the InChIKey of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The InChIKey is NYOSPVAUDKHRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-8(2)12-15-11(14)10(5)13(16-12)17(6-7-18)9(3)4/h8-9,18H,6-7H2,1-5H3.
What are the key properties of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol has a molecular weight of 271.79 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 80972375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).