2-methyl-5-(oxan-4-yl)pyrimidine

C10H14N2O — CID 132531110

IUPAC2-methyl-5-(oxan-4-yl)pyrimidine
SMILESCc1ncc(C2CCOCC2)cn1
InChIInChI=1S/C10H14N2O/c1-8-11-6-10(7-12-8)9-2-4-13-5-3-9/h6-7,9H,2-5H2,1H3
InChIKeyDPXACXBJWLFGBJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.68
Rot. Bonds1

About 2-methyl-5-(oxan-4-yl)pyrimidine

2-methyl-5-(oxan-4-yl)pyrimidine (PubChem CID 132531110) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-methyl-5-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(oxan-4-yl)pyrimidine
PubChem CID132531110
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-methyl-5-(oxan-4-yl)pyrimidine
SMILESCc1ncc(C2CCOCC2)cn1
InChIInChI=1S/C10H14N2O/c1-8-11-6-10(7-12-8)9-2-4-13-5-3-9/h6-7,9H,2-5H2,1H3
InChIKeyDPXACXBJWLFGBJ-UHFFFAOYSA-N
XLogP1.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-Methyl-5-propyl-4-pyrimidinyl)-1-oxa-8-azaspiro[4.5]decane
CID 56873308
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine
CID 164635856
N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine
CID 164637347
2-(2,2-Difluoro-1,3-dioxan-5-yl)-5-propylpyrimidine
CID 59876005
5-Butyl-2-[2-(2,2-difluoro-1,3-dioxan-5-yl)ethyl]pyrimidine
CID 59876036
4-Methoxy-2-(2-(trifluoromethyl)pyrimidin-5-yl)butanenitrile
CID 86716220
(4-(2-(trifluoromethyl)pyrimidin-5-yl)tetrahydro-2H-pyran-4-yl)methanamine
CID 86716336
2-(tetrahydro-2H-pyran-4-yl)-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
CID 86716371
4-Methoxy-2-(2-(trifluoromethyl)pyrimidin-5-yl)butan-1-amine
CID 86716396
4-(2-(Trifluoromethyl)pyrimidin-5-YL)tetrahydro-2H-pyran-4-carbonitrile
CID 117870816
3-(2-(Trifluoromethyl)pyrimidin-5-yl)propan-1-ol
CID 135397388
5-(4-Methyloxan-4-yl)-2-(trifluoromethyl)pyrimidine
CID 141403699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxan-4-yl)pyrimidine?
The IUPAC name of 2-methyl-5-(oxan-4-yl)pyrimidine (CID 132531110) is 2-methyl-5-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 2-methyl-5-(oxan-4-yl)pyrimidine?
The canonical SMILES for 2-methyl-5-(oxan-4-yl)pyrimidine is Cc1ncc(C2CCOCC2)cn1.
What is the InChIKey of 2-methyl-5-(oxan-4-yl)pyrimidine?
The InChIKey is DPXACXBJWLFGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-11-6-10(7-12-8)9-2-4-13-5-3-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-methyl-5-(oxan-4-yl)pyrimidine?
2-methyl-5-(oxan-4-yl)pyrimidine has a molecular weight of 178.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 132531110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).