2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol

C14H23ClN4O — CID 80811147

IUPAC2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol
SMILESCCNc1ncc(Cl)c(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C14H23ClN4O/c1-2-16-14-17-10-12(15)13(18-14)19(8-9-20)11-6-4-3-5-7-11/h10-11,20H,2-9H2,1H3,(H,16,17,18)
InChIKeySMPRPABBQLGHNF-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.69
Rot. Bonds6

About 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol

2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol (PubChem CID 80811147) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol
PubChem CID80811147
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol
SMILESCCNc1ncc(Cl)c(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C14H23ClN4O/c1-2-16-14-17-10-12(15)13(18-14)19(8-9-20)11-6-4-3-5-7-11/h10-11,20H,2-9H2,1H3,(H,16,17,18)
InChIKeySMPRPABBQLGHNF-UHFFFAOYSA-N
XLogP2.69
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80811535
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904782
2-[(5-chloro-2-methoxypyrimidin-4-yl)-cyclopentylamino]ethanol
CID 80752339
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol
CID 80811349
2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810933
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751
5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
CID 80870663
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80774891
5-bromo-4-N-cycloheptyl-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80789656
5-chloro-4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80844922
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476
2-[cyclobutyl-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]ethanol
CID 102875765

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol?
The IUPAC name of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol (CID 80811147) is 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol?
The canonical SMILES for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol is CCNc1ncc(Cl)c(N(CCO)C2CCCCC2)n1.
What is the InChIKey of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol?
The InChIKey is SMPRPABBQLGHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-2-16-14-17-10-12(15)13(18-14)19(8-9-20)11-6-4-3-5-7-11/h10-11,20H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol?
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol has a molecular weight of 298.82 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol is sourced from PubChem (CID 80811147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).