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

C13H17N5 — CID 80790051

IUPAC4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(N(C)C)cc2)nc(N)n1
InChIInChI=1S/C13H17N5/c1-9-8-12(17-13(14)15-9)16-10-4-6-11(7-5-10)18(2)3/h4-8H,1-3H3,(H3,14,15,16,17)
InChIKeyOBJQGWCFFOWFNK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.18
Rot. Bonds3

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

4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 80790051) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
PubChem CID80790051
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(N(C)C)cc2)nc(N)n1
InChIInChI=1S/C13H17N5/c1-9-8-12(17-13(14)15-9)16-10-4-6-11(7-5-10)18(2)3/h4-8H,1-3H3,(H3,14,15,16,17)
InChIKeyOBJQGWCFFOWFNK-UHFFFAOYSA-N
XLogP2.18
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.18
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

2-N,4-N-bis[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931685
4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80788888
4-N-[4-(dimethylamino)phenyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788974
4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112929719
4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
4-N-(3-chloro-4-fluorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112930165
ethane;4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 143338862
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 112877996
6-N-[4-(dimethylamino)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867400
2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931305
4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
CID 112931696

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine (CID 80790051) is 4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(N(C)C)cc2)nc(N)n1.
What is the InChIKey of 4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is OBJQGWCFFOWFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-8-12(17-13(14)15-9)16-10-4-6-11(7-5-10)18(2)3/h4-8H,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine?
4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.18, 3 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-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80790051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).