5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine

C15H23N3O2 — CID 66995655

IUPAC5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
SMILESCC1CCC(c2cnc(N)nc2OC2CCOC2)CC1
InChIInChI=1S/C15H23N3O2/c1-10-2-4-11(5-3-10)13-8-17-15(16)18-14(13)20-12-6-7-19-9-12/h8,10-12H,2-7,9H2,1H3,(H2,16,17,18)
InChIKeyFGSGUQJHQZUAGS-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.52
Rot. Bonds3

About 5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine

5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine (PubChem CID 66995655) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
PubChem CID66995655
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
SMILESCC1CCC(c2cnc(N)nc2OC2CCOC2)CC1
InChIInChI=1S/C15H23N3O2/c1-10-2-4-11(5-3-10)13-8-17-15(16)18-14(13)20-12-6-7-19-9-12/h8,10-12H,2-7,9H2,1H3,(H2,16,17,18)
InChIKeyFGSGUQJHQZUAGS-UHFFFAOYSA-N
XLogP2.52
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine?
The IUPAC name of 5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine (CID 66995655) is 5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine?
The canonical SMILES for 5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine is CC1CCC(c2cnc(N)nc2OC2CCOC2)CC1.
What is the InChIKey of 5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine?
The InChIKey is FGSGUQJHQZUAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-2-4-11(5-3-10)13-8-17-15(16)18-14(13)20-12-6-7-19-9-12/h8,10-12H,2-7,9H2,1H3,(H2,16,17,18).
What are the key properties of 5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine?
5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 66995655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).