(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C14H23N3O — CID 114623417

IUPAC(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1nccc(C(N)C2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C14H23N3O/c1-9-16-7-6-11(17-9)12(15)10-8-13(2,3)18-14(10,4)5/h6-7,10,12H,8,15H2,1-5H3
InChIKeyLEUKIPZRKGCNCT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.38
Rot. Bonds2

About (2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114623417) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114623417
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1nccc(C(N)C2CC(C)(C)OC2(C)C)n1
InChIInChI=1S/C14H23N3O/c1-9-16-7-6-11(17-9)12(15)10-8-13(2,3)18-14(10,4)5/h6-7,10,12H,8,15H2,1-5H3
InChIKeyLEUKIPZRKGCNCT-UHFFFAOYSA-N
XLogP2.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylimidazol-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107977785
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623491
(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103443700
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622059
2,2,5,5-tetramethyl-N-[(2-methylpyrimidin-4-yl)methyl]oxolan-3-amine
CID 79928842
(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623339
[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053018
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
(3-bromo-2-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107953815
(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622000
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114623417) is (2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is Cc1nccc(C(N)C2CC(C)(C)OC2(C)C)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is LEUKIPZRKGCNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9-16-7-6-11(17-9)12(15)10-8-13(2,3)18-14(10,4)5/h6-7,10,12H,8,15H2,1-5H3.
What are the key properties of (2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 249.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114623417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).