4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine

C14H22N4O2 — CID 126674588

IUPAC4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine
SMILESNC1CCC(Oc2nccc(N3CCOCC3)n2)CC1
InChIInChI=1S/C14H22N4O2/c15-11-1-3-12(4-2-11)20-14-16-6-5-13(17-14)18-7-9-19-10-8-18/h5-6,11-12H,1-4,7-10,15H2
InChIKeyNMGISVQUKPNIQS-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.96
Rot. Bonds3

About 4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine

4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine (PubChem CID 126674588) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine
PubChem CID126674588
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine
SMILESNC1CCC(Oc2nccc(N3CCOCC3)n2)CC1
InChIInChI=1S/C14H22N4O2/c15-11-1-3-12(4-2-11)20-14-16-6-5-13(17-14)18-7-9-19-10-8-18/h5-6,11-12H,1-4,7-10,15H2
InChIKeyNMGISVQUKPNIQS-UHFFFAOYSA-N
XLogP0.96
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine?
The IUPAC name of 4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine (CID 126674588) is 4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine.
What is the SMILES notation for 4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine?
The canonical SMILES for 4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine is NC1CCC(Oc2nccc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine?
The InChIKey is NMGISVQUKPNIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-11-1-3-12(4-2-11)20-14-16-6-5-13(17-14)18-7-9-19-10-8-18/h5-6,11-12H,1-4,7-10,15H2.
What are the key properties of 4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine?
4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylpyrimidin-2-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 126674588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).