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

C12H15N5 — CID 61147087

IUPAC2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine
SMILESCN(C)c1ccc(Nc2ncc(N)cn2)cc1
InChIInChI=1S/C12H15N5/c1-17(2)11-5-3-10(4-6-11)16-12-14-7-9(13)8-15-12/h3-8H,13H2,1-2H3,(H,14,15,16)
InChIKeyIGTUBDSOTZYRMF-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.87
Rot. Bonds3

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

2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine (PubChem CID 61147087) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine
PubChem CID61147087
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine
SMILESCN(C)c1ccc(Nc2ncc(N)cn2)cc1
InChIInChI=1S/C12H15N5/c1-17(2)11-5-3-10(4-6-11)16-12-14-7-9(13)8-15-12/h3-8H,13H2,1-2H3,(H,14,15,16)
InChIKeyIGTUBDSOTZYRMF-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

1-N-(5-iodopyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 116648876
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060718
5-bromo-2-N-[4-(dimethylamino)phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 11668111
5-chloro-2-N-[4-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 79021909
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
2-[4-[(5-aminopyrimidin-2-yl)amino]phenyl]acetonitrile
CID 62303544
2-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266730
3,5-dichloro-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-diamine
CID 102756297
3-[4-(dimethylamino)anilino]pyrazine-2-carbothioamide
CID 55102849
2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
CID 104775622
1-N-[4-(dimethylamino)phenyl]-2-methylbenzene-1,4-diamine
CID 43616859
2-N,4-N-bis[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931685

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine (CID 61147087) is 2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine is CN(C)c1ccc(Nc2ncc(N)cn2)cc1.
What is the InChIKey of 2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine?
The InChIKey is IGTUBDSOTZYRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17(2)11-5-3-10(4-6-11)16-12-14-7-9(13)8-15-12/h3-8H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine?
2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-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 2-N-[4-(dimethylamino)phenyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 61147087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).