4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine

C19H24N6 — CID 44578537

IUPAC4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine
SMILESCc1ncc(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)n1C(C)C
InChIInChI=1S/C19H24N6/c1-13(2)25-14(3)21-12-18(25)17-10-11-20-19(23-17)22-15-6-8-16(9-7-15)24(4)5/h6-13H,1-5H3,(H,20,22,23)
InChIKeyWMEWCRUOYDVJLT-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.04
Rot. Bonds5

About 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine (PubChem CID 44578537) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine
PubChem CID44578537
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine
SMILESCc1ncc(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)n1C(C)C
InChIInChI=1S/C19H24N6/c1-13(2)25-14(3)21-12-18(25)17-10-11-20-19(23-17)22-15-6-8-16(9-7-15)24(4)5/h6-13H,1-5H3,(H,20,22,23)
InChIKeyWMEWCRUOYDVJLT-UHFFFAOYSA-N
XLogP4.04
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Meiqx
CID 62275
SB-220025
CID 5164
4-(2-Methyl-1-(1-methylethyl)-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)-2-pyrimidinamine
CID 16747683
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-670462
CID 51049607
4-(2-methyl-1H-imidazol-1-yl)aniline
CID 3157478
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
Ngd 94-1
CID 188942
SB-242235
CID 9863367
FR-79620
CID 10421577
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine (CID 44578537) is 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine is Cc1ncc(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)n1C(C)C.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine?
The InChIKey is WMEWCRUOYDVJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-13(2)25-14(3)21-12-18(25)17-10-11-20-19(23-17)22-15-6-8-16(9-7-15)24(4)5/h6-13H,1-5H3,(H,20,22,23).
What are the key properties of 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine has a molecular weight of 336.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 44578537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).