[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine

C11H17N3OS — CID 79970551

IUPAC[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine
SMILESCc1nc(C2CSCCO2)nc(C)c1CN
InChIInChI=1S/C11H17N3OS/c1-7-9(5-12)8(2)14-11(13-7)10-6-16-4-3-15-10/h10H,3-6,12H2,1-2H3
InChIKeyRUSFQNMSRFFWCT-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.36
Rot. Bonds2

About [4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine

[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine (PubChem CID 79970551) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine
PubChem CID79970551
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine
SMILESCc1nc(C2CSCCO2)nc(C)c1CN
InChIInChI=1S/C11H17N3OS/c1-7-9(5-12)8(2)14-11(13-7)10-6-16-4-3-15-10/h10H,3-6,12H2,1-2H3
InChIKeyRUSFQNMSRFFWCT-UHFFFAOYSA-N
XLogP1.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
CID 79968936
N-ethyl-5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
CID 79968937
5-fluoro-6-methyl-2-(1,4-oxathian-2-yl)-N-propylpyrimidin-4-amine
CID 79969093
[4,6-Dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-5-yl]methanamine
CID 103476641
[4,6-Dimethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine
CID 113820059
1-[4,6-dimethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine
CID 113820060
2-(1,4-oxathian-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739811
2-(1,4-Oxathian-2-yl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114741976
(3S)-4-(2-chloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)-3-methylmorpholine
CID 152440953
(4,6-Dimethyl-2-morpholin-4-ylpyrimidin-5-yl)methanamine
CID 28815219
N-[[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 55113444
N-[[2-(methoxymethyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 55113493

Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine (CID 79970551) is [4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine is Cc1nc(C2CSCCO2)nc(C)c1CN.
What is the InChIKey of [4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine?
The InChIKey is RUSFQNMSRFFWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-9(5-12)8(2)14-11(13-7)10-6-16-4-3-15-10/h10H,3-6,12H2,1-2H3.
What are the key properties of [4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine?
[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine has a molecular weight of 239.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 79970551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).