2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine

C12H20N4O — CID 80933209

IUPAC2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC2CCOCC2)n1
InChIInChI=1S/C12H20N4O/c1-3-10-15-11(13-2)8-12(16-10)14-9-4-6-17-7-5-9/h8-9H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyYQRQHXJBYYSBGZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.67
Rot. Bonds4

About 2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine

2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine (PubChem CID 80933209) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
PubChem CID80933209
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC2CCOCC2)n1
InChIInChI=1S/C12H20N4O/c1-3-10-15-11(13-2)8-12(16-10)14-9-4-6-17-7-5-9/h8-9H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyYQRQHXJBYYSBGZ-UHFFFAOYSA-N
XLogP1.67
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-hydrazinyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80937015
2-ethyl-6-N-methyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80933606
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80934612
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
2-methyl-4-N-(oxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80789462
2-ethyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80933335
4-N-cyclobutyl-2-ethylpyrimidine-4,6-diamine
CID 80934753
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
2-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80934582
4-N-(3-methoxycyclobutyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 114121099
N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine
CID 80654781
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80940937

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine (CID 80933209) is 2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine is CCc1nc(NC)cc(NC2CCOCC2)n1.
What is the InChIKey of 2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The InChIKey is YQRQHXJBYYSBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-15-11(13-2)8-12(16-10)14-9-4-6-17-7-5-9/h8-9H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).