4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine

C15H21N5O — CID 115376024

IUPAC4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(Nc2cccc(N(C)C)c2)c1N
InChIInChI=1S/C15H21N5O/c1-4-8-21-15-13(16)14(17-10-18-15)19-11-6-5-7-12(9-11)20(2)3/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18,19)
InChIKeyAYWGYOPPALXGDZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.66
Rot. Bonds6

About 4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine

4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine (PubChem CID 115376024) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
PubChem CID115376024
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(Nc2cccc(N(C)C)c2)c1N
InChIInChI=1S/C15H21N5O/c1-4-8-21-15-13(16)14(17-10-18-15)19-11-6-5-7-12(9-11)20(2)3/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18,19)
InChIKeyAYWGYOPPALXGDZ-UHFFFAOYSA-N
XLogP2.66
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine
CID 107618600
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280
1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297977
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
4-N-(4-bromo-2-ethylphenyl)-6-propoxypyrimidine-4,5-diamine
CID 81289753
3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine
CID 110435229
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
4-N-(2,6-dichloro-4-fluorophenyl)-6-propoxypyrimidine-4,5-diamine
CID 83078014
4-N-(3,4-dimethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 22546283
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 22543827
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine (CID 115376024) is 4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine is CCCOc1ncnc(Nc2cccc(N(C)C)c2)c1N.
What is the InChIKey of 4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine?
The InChIKey is AYWGYOPPALXGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-8-21-15-13(16)14(17-10-18-15)19-11-6-5-7-12(9-11)20(2)3/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine?
4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)phenyl]-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 115376024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).