N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine

C14H21N3O2 — CID 66996277

IUPACN-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine
SMILESCC1CCC(Nc2nccc(OC3COC3)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-10-2-4-11(5-3-10)16-14-15-7-6-13(17-14)19-12-8-18-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,15,16,17)
InChIKeyUJJQBFKGNBHEEH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.24
Rot. Bonds4

About N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine

N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine (PubChem CID 66996277) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine
PubChem CID66996277
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine
SMILESCC1CCC(Nc2nccc(OC3COC3)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-10-2-4-11(5-3-10)16-14-15-7-6-13(17-14)19-12-8-18-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,15,16,17)
InChIKeyUJJQBFKGNBHEEH-UHFFFAOYSA-N
XLogP2.24
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine?
The IUPAC name of N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine (CID 66996277) is N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine is CC1CCC(Nc2nccc(OC3COC3)n2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine?
The InChIKey is UJJQBFKGNBHEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-2-4-11(5-3-10)16-14-15-7-6-13(17-14)19-12-8-18-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,15,16,17).
What are the key properties of N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine?
N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 66996277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).