4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine

C18H19N5 — CID 112864777

IUPAC4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
SMILESCN(C)c1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C18H19N5/c1-23(2)16-10-8-15(9-11-16)22-18-12-17(19-13-20-18)21-14-6-4-3-5-7-14/h3-13H,1-2H3,(H2,19,20,21,22)
InChIKeyDLVOWIKKRNYRTK-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.03
Rot. Bonds5

About 4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine

4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine (PubChem CID 112864777) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
PubChem CID112864777
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
SMILESCN(C)c1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C18H19N5/c1-23(2)16-10-8-15(9-11-16)22-18-12-17(19-13-20-18)21-14-6-4-3-5-7-14/h3-13H,1-2H3,(H2,19,20,21,22)
InChIKeyDLVOWIKKRNYRTK-UHFFFAOYSA-N
XLogP4.03
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.03
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-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
3-[[6-[4-(dimethylamino)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866899
6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866338
6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866298
6-N-[4-(dimethylamino)phenyl]-4-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865180
4-N-(5-chloro-2-methylphenyl)-6-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 112865907
4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856969
4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112855770
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine (CID 112864777) is 4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine is CN(C)c1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1.
What is the InChIKey of 4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine?
The InChIKey is DLVOWIKKRNYRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-23(2)16-10-8-15(9-11-16)22-18-12-17(19-13-20-18)21-14-6-4-3-5-7-14/h3-13H,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine?
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine has a molecular weight of 305.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112864777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).