5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine

C11H16ClN3O2 — CID 80876419

IUPAC5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine
SMILESCOC1CCCC(Oc2nc(N)ncc2Cl)C1
InChIInChI=1S/C11H16ClN3O2/c1-16-7-3-2-4-8(5-7)17-10-9(12)6-14-11(13)15-10/h6-8H,2-5H2,1H3,(H2,13,14,15)
InChIKeyCLTKPYKPWNCPLU-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.05
Rot. Bonds3

About 5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine

5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine (PubChem CID 80876419) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine
PubChem CID80876419
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine
SMILESCOC1CCCC(Oc2nc(N)ncc2Cl)C1
InChIInChI=1S/C11H16ClN3O2/c1-16-7-3-2-4-8(5-7)17-10-9(12)6-14-11(13)15-10/h6-8H,2-5H2,1H3,(H2,13,14,15)
InChIKeyCLTKPYKPWNCPLU-UHFFFAOYSA-N
XLogP2.05
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3,5-dichloro-6-(3-methoxycyclohexyl)oxy-2-pyridinyl]hydrazine
CID 102763031
4-cyclobutyloxy-5-methylpyrimidin-2-amine
CID 80873387
4-[(1S,3R)-3-methoxycyclohexyl]oxypyrimidin-2-amine
CID 97052965
5-chloro-3-fluoro-2-(3-methoxycyclohexyl)oxypyridine
CID 79733625
3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine
CID 114837770
4-cyclopentyloxy-5-fluoropyrimidin-2-amine
CID 80861467
4-(5-chloro-2-methoxypyrimidin-4-yl)oxycyclohexan-1-amine
CID 80752670
5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876725
5-iodo-2-(3-methoxycyclohexyl)oxypyrimidine
CID 116649217
[4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol
CID 114215313
5-chloro-4-cycloheptyloxy-N-ethylpyrimidin-2-amine
CID 80870663
N-ethyl-4-(3-methoxycyclohexyl)oxy-5-methylpyrimidin-2-amine
CID 80877178

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine (CID 80876419) is 5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine is COC1CCCC(Oc2nc(N)ncc2Cl)C1.
What is the InChIKey of 5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine?
The InChIKey is CLTKPYKPWNCPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-16-7-3-2-4-8(5-7)17-10-9(12)6-14-11(13)15-10/h6-8H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of 5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine?
5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine has a molecular weight of 257.72 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-methoxycyclohexyl)oxypyrimidin-2-amine is sourced from PubChem (CID 80876419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).