4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine

C16H30N4O — CID 114944722

IUPAC4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCC(C)(C)OCC)n1
InChIInChI=1S/C16H30N4O/c1-7-10-13-19-14(17-8-2)12(4)15(20-13)18-11-16(5,6)21-9-3/h7-11H2,1-6H3,(H2,17,18,19,20)
InChIKeySPPNUWKVKIMOOM-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.40
Rot. Bonds9

About 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine

4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 114944722) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID114944722
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCC(C)(C)OCC)n1
InChIInChI=1S/C16H30N4O/c1-7-10-13-19-14(17-8-2)12(4)15(20-13)18-11-16(5,6)21-9-3/h7-11H2,1-6H3,(H2,17,18,19,20)
InChIKeySPPNUWKVKIMOOM-UHFFFAOYSA-N
XLogP3.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propylpyrimidin-4-amine
CID 113451063
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992471
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280580
2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944764
2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 114944808
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198617
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80992927
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80983313
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944633
2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80992097

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine (CID 114944722) is 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)c(C)c(NCC(C)(C)OCC)n1.
What is the InChIKey of 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is SPPNUWKVKIMOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-10-13-19-14(17-8-2)12(4)15(20-13)18-11-16(5,6)21-9-3/h7-11H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114944722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).