3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol

C13H21N3O2 — CID 106102101

IUPAC3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol
SMILESCc1cc(C(C)C)nc(NCC2(O)CCOC2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)11-6-10(3)15-12(16-11)14-7-13(17)4-5-18-8-13/h6,9,17H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyLOLMBQXDWBQTHC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds4

About 3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol

3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol (PubChem CID 106102101) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol
PubChem CID106102101
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol
SMILESCc1cc(C(C)C)nc(NCC2(O)CCOC2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)11-6-10(3)15-12(16-11)14-7-13(17)4-5-18-8-13/h6,9,17H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyLOLMBQXDWBQTHC-UHFFFAOYSA-N
XLogP1.47
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol
CID 104925043
4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine
CID 103743092
3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102696
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
CID 106103384
N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 113491544
3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 103847710
1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 112637995
N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 113491499
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043326
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol (CID 106102101) is 3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol is Cc1cc(C(C)C)nc(NCC2(O)CCOC2)n1.
What is the InChIKey of 3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol?
The InChIKey is LOLMBQXDWBQTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)11-6-10(3)15-12(16-11)14-7-13(17)4-5-18-8-13/h6,9,17H,4-5,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of 3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol?
3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol has a molecular weight of 251.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106102101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).