4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine

C14H19N5 — CID 79918177

IUPAC4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine
SMILESCCN(CC)c1ccc(Nc2ncncc2N)cc1
InChIInChI=1S/C14H19N5/c1-3-19(4-2)12-7-5-11(6-8-12)18-14-13(15)9-16-10-17-14/h5-10H,3-4,15H2,1-2H3,(H,16,17,18)
InChIKeyWQFXLTIKWDIIDL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds5

About 4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine

4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine (PubChem CID 79918177) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine
PubChem CID79918177
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine
SMILESCCN(CC)c1ccc(Nc2ncncc2N)cc1
InChIInChI=1S/C14H19N5/c1-3-19(4-2)12-7-5-11(6-8-12)18-14-13(15)9-16-10-17-14/h5-10H,3-4,15H2,1-2H3,(H,16,17,18)
InChIKeyWQFXLTIKWDIIDL-UHFFFAOYSA-N
XLogP2.65
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-(diethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80828929
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
4-N-pyrimidin-5-ylpyrimidine-4,5-diamine
CID 83618947
4-N-(3-ethoxyphenyl)pyrimidine-4,5-diamine
CID 79917337
2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine
CID 79020665
4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine
CID 79917986
4-N-naphthalen-2-ylpyrimidine-4,5-diamine
CID 79917712
4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 79918947
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
CID 79915694
1-N-[4-(diethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590376
4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine
CID 106571683
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine (CID 79918177) is 4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine is CCN(CC)c1ccc(Nc2ncncc2N)cc1.
What is the InChIKey of 4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine?
The InChIKey is WQFXLTIKWDIIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-19(4-2)12-7-5-11(6-8-12)18-14-13(15)9-16-10-17-14/h5-10H,3-4,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine?
4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 79918177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).