4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine

C14H24N4O2 — CID 83039257

IUPAC4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CCOC(C)(C)C2)c1OC
InChIInChI=1S/C14H24N4O2/c1-5-15-12-11(19-4)13(17-9-16-12)18-10-6-7-20-14(2,3)8-10/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyPVFBZPVWCQDTFR-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.29
Rot. Bonds5

About 4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine

4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine (PubChem CID 83039257) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
PubChem CID83039257
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CCOC(C)(C)C2)c1OC
InChIInChI=1S/C14H24N4O2/c1-5-15-12-11(19-4)13(17-9-16-12)18-10-6-7-20-14(2,3)8-10/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyPVFBZPVWCQDTFR-UHFFFAOYSA-N
XLogP2.29
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine with MolForge

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Related Compounds

6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine
CID 83028527
4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 83039166
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 114542332
N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine
CID 83029099
2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
N-(2,2-dimethyloxan-4-yl)-1H-1,2,4-triazol-5-amine
CID 67009275
6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789183
5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine
CID 113467587
N-(2,2-dimethyloxan-4-yl)-1H-imidazol-2-amine
CID 106578747
N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine
CID 102608811
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640153
N-(2,2-dimethyloxan-4-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 83029026

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine (CID 83039257) is 4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine is CCNc1ncnc(NC2CCOC(C)(C)C2)c1OC.
What is the InChIKey of 4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine?
The InChIKey is PVFBZPVWCQDTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-15-12-11(19-4)13(17-9-16-12)18-10-6-7-20-14(2,3)8-10/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine?
4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine has a molecular weight of 280.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine is sourced from PubChem (CID 83039257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).