4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine

C15H21N5 — CID 106761045

IUPAC4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccccc1N(C)C
InChIInChI=1S/C15H21N5/c1-4-7-11-14(16)17-10-18-15(11)19-12-8-5-6-9-13(12)20(2)3/h5-6,8-10H,4,7H2,1-3H3,(H3,16,17,18,19)
InChIKeyBWUGQYKOMPHEJR-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.82
Rot. Bonds5

About 4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 106761045) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
PubChem CID106761045
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1ccccc1N(C)C
InChIInChI=1S/C15H21N5/c1-4-7-11-14(16)17-10-18-15(11)19-12-8-5-6-9-13(12)20(2)3/h5-6,8-10H,4,7H2,1-3H3,(H3,16,17,18,19)
InChIKeyBWUGQYKOMPHEJR-UHFFFAOYSA-N
XLogP2.82
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761113
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
4-N-(2-propan-2-ylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80759282
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 106761086
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768499
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760868
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328066

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine (CID 106761045) is 4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1Nc1ccccc1N(C)C.
What is the InChIKey of 4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is BWUGQYKOMPHEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-7-11-14(16)17-10-18-15(11)19-12-8-5-6-9-13(12)20(2)3/h5-6,8-10H,4,7H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106761045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).