[4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol

C12H23N3O2 — CID 114277317

IUPAC[4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol
SMILESCC1(C)CN=C(NC2(CO)CCOCC2)NC1
InChIInChI=1S/C12H23N3O2/c1-11(2)7-13-10(14-8-11)15-12(9-16)3-5-17-6-4-12/h16H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyBWLXHVDXBDFDGO-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds2

About [4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol

[4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol (PubChem CID 114277317) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is [4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol
PubChem CID114277317
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name[4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol
SMILESCC1(C)CN=C(NC2(CO)CCOCC2)NC1
InChIInChI=1S/C12H23N3O2/c1-11(2)7-13-10(14-8-11)15-12(9-16)3-5-17-6-4-12/h16H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyBWLXHVDXBDFDGO-UHFFFAOYSA-N
XLogP0.10
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol (CID 114277317) is [4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol is CC1(C)CN=C(NC2(CO)CCOCC2)NC1.
What is the InChIKey of [4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol?
The InChIKey is BWLXHVDXBDFDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2)7-13-10(14-8-11)15-12(9-16)3-5-17-6-4-12/h16H,3-9H2,1-2H3,(H2,13,14,15).
What are the key properties of [4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol?
[4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol has a molecular weight of 241.33 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 114277317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).