6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine

C16H22N4O — CID 80768641

IUPAC6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1ccccc1OC
InChIInChI=1S/C16H22N4O/c1-4-8-12-15(17-5-2)18-11-19-16(12)20-13-9-6-7-10-14(13)21-3/h6-7,9-11H,4-5,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyDARBQFPRGIWBCL-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.61
Rot. Bonds7

About 6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80768641) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80768641
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1ccccc1OC
InChIInChI=1S/C16H22N4O/c1-4-8-12-15(17-5-2)18-11-19-16(12)20-13-9-6-7-10-14(13)21-3/h6-7,9-11H,4-5,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyDARBQFPRGIWBCL-UHFFFAOYSA-N
XLogP3.61
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80751666
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
6-chloro-N-(2-ethoxyphenyl)-5-propylpyrimidin-4-amine
CID 63735094
4-N-(3-chloro-2-methylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80737993
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80902077
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
CID 80911879
6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647224
N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 82793042
6-ethyl-N-(2-methoxyphenyl)quinazolin-4-amine
CID 21002616
6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148143
4-N-(2,6-dichlorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80829581

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine (CID 80768641) is 6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1Nc1ccccc1OC.
What is the InChIKey of 6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is DARBQFPRGIWBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-8-12-15(17-5-2)18-11-19-16(12)20-13-9-6-7-10-14(13)21-3/h6-7,9-11H,4-5,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80768641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).