2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol

C15H25ClN4O2 — CID 125495061

IUPAC2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol
SMILESCCC(C)(C)Nc1nc(N2CCOCC2)nc(Cl)c1CCO
InChIInChI=1S/C15H25ClN4O2/c1-4-15(2,3)19-13-11(5-8-21)12(16)17-14(18-13)20-6-9-22-10-7-20/h21H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyJCQXTRPFKIXDBQ-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.10
Rot. Bonds6

About 2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol

2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol (PubChem CID 125495061) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol
PubChem CID125495061
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC Name2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol
SMILESCCC(C)(C)Nc1nc(N2CCOCC2)nc(Cl)c1CCO
InChIInChI=1S/C15H25ClN4O2/c1-4-15(2,3)19-13-11(5-8-21)12(16)17-14(18-13)20-6-9-22-10-7-20/h21H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyJCQXTRPFKIXDBQ-UHFFFAOYSA-N
XLogP2.10
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol with MolForge

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Related Compounds

4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine
CID 66294584
2-methyl-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80824824
4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
CID 139072586
4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 106332082
N-(6-chloro-5-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-methylformamide
CID 89017463
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771023
N-[(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 55113870
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 113492552
3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772383
4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 64913356
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethanol
CID 80866849
N-(2,2-dimethylbutyl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 103466763

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol?
The IUPAC name of 2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol (CID 125495061) is 2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol?
The canonical SMILES for 2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol is CCC(C)(C)Nc1nc(N2CCOCC2)nc(Cl)c1CCO.
What is the InChIKey of 2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol?
The InChIKey is JCQXTRPFKIXDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O2/c1-4-15(2,3)19-13-11(5-8-21)12(16)17-14(18-13)20-6-9-22-10-7-20/h21H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol?
2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol has a molecular weight of 328.84 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-(2-methylbutan-2-ylamino)-2-morpholin-4-ylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 125495061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).