N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine

C15H23N3O2 — CID 66996334

IUPACN-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
SMILESCC1CCC(Nc2nccc(O[C@@H]3CCOC3)n2)CC1
InChIInChI=1S/C15H23N3O2/c1-11-2-4-12(5-3-11)17-15-16-8-6-14(18-15)20-13-7-9-19-10-13/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,16,17,18)/t11?,12?,13-/m1/s1
InChIKeyNHWFUFFIPJFBJG-WXRRBKDZSA-N
MW277.37 g/mol
LogP2.63
Rot. Bonds4

About N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine

N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine (PubChem CID 66996334) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
PubChem CID66996334
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
SMILESCC1CCC(Nc2nccc(O[C@@H]3CCOC3)n2)CC1
InChIInChI=1S/C15H23N3O2/c1-11-2-4-12(5-3-11)17-15-16-8-6-14(18-15)20-13-7-9-19-10-13/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,16,17,18)/t11?,12?,13-/m1/s1
InChIKeyNHWFUFFIPJFBJG-WXRRBKDZSA-N
XLogP2.63
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.63
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-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
The IUPAC name of N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine (CID 66996334) is N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine is CC1CCC(Nc2nccc(O[C@@H]3CCOC3)n2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
The InChIKey is NHWFUFFIPJFBJG-WXRRBKDZSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-2-4-12(5-3-11)17-15-16-8-6-14(18-15)20-13-7-9-19-10-13/h6,8,11-13H,2-5,7,9-10H2,1H3,(H,16,17,18)/t11?,12?,13-/m1/s1.
What are the key properties of N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine?
N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 2.63, 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-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine is sourced from PubChem (CID 66996334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).