N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine

C9H13N3OS — CID 79968812

IUPACN-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
SMILESCNc1ccnc(C2CSCCO2)n1
InChIInChI=1S/C9H13N3OS/c1-10-8-2-3-11-9(12-8)7-6-14-5-4-13-7/h2-3,7H,4-6H2,1H3,(H,10,11,12)
InChIKeyLZFQFUVQWWEJOI-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.32
Rot. Bonds2

About N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine

N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine (PubChem CID 79968812) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
PubChem CID79968812
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
SMILESCNc1ccnc(C2CSCCO2)n1
InChIInChI=1S/C9H13N3OS/c1-10-8-2-3-11-9(12-8)7-6-14-5-4-13-7/h2-3,7H,4-6H2,1H3,(H,10,11,12)
InChIKeyLZFQFUVQWWEJOI-UHFFFAOYSA-N
XLogP1.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(1,4-oxathian-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 79970387
N-[[2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 79968702
N-methyl-2-(1,4-oxathian-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 79968552
3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
CID 79962782
3-[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 79968448
4-chloro-5-iodo-2-(1,4-oxathian-2-yl)pyrimidine
CID 79965819
5-iodo-N-methyl-2-(1,4-oxathian-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 79968440
N-methyl-1-[6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methanamine
CID 79969249
[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine
CID 79970551
[2-(1,4-oxathian-2-yl)-6-propylpyrimidin-4-yl]hydrazine
CID 79969508
[2-(1,4-oxathian-2-yl)pyrimidin-5-yl]methanamine
CID 79970125
2-[4,6-dimethyl-2-(1,4-oxathian-2-yl)pyrimidin-5-yl]-N-ethylethanamine
CID 79968830

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine (CID 79968812) is N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine is CNc1ccnc(C2CSCCO2)n1.
What is the InChIKey of N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
The InChIKey is LZFQFUVQWWEJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-10-8-2-3-11-9(12-8)7-6-14-5-4-13-7/h2-3,7H,4-6H2,1H3,(H,10,11,12).
What are the key properties of N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine?
N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine has a molecular weight of 211.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79968812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).