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

C12H15N5 — CID 80790052

IUPAC4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
SMILESCN(C)c1ccc(Nc2cc(N)ncn2)cc1
InChIInChI=1S/C12H15N5/c1-17(2)10-5-3-9(4-6-10)16-12-7-11(13)14-8-15-12/h3-8H,1-2H3,(H3,13,14,15,16)
InChIKeyMPYIHIPNPUKBTH-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.87
Rot. Bonds3

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

4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine (PubChem CID 80790052) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
PubChem CID80790052
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
SMILESCN(C)c1ccc(Nc2cc(N)ncn2)cc1
InChIInChI=1S/C12H15N5/c1-17(2)10-5-3-9(4-6-10)16-12-7-11(13)14-8-15-12/h3-8H,1-2H3,(H3,13,14,15,16)
InChIKeyMPYIHIPNPUKBTH-UHFFFAOYSA-N
XLogP1.87
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.87
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]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
4-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80788888
6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866338
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
6-N-[4-(dimethylamino)phenyl]-4-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865180
4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112855770
3-[[6-[4-(dimethylamino)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866899
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
6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866298

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine (CID 80790052) is 4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine is CN(C)c1ccc(Nc2cc(N)ncn2)cc1.
What is the InChIKey of 4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine?
The InChIKey is MPYIHIPNPUKBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17(2)10-5-3-9(4-6-10)16-12-7-11(13)14-8-15-12/h3-8H,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine?
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.87, 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]pyrimidine-4,6-diamine is sourced from PubChem (CID 80790052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).