N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine

C22H18N6 — CID 24962128

IUPACN-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(Nc2cccc(-n3ccnc3)c2)nc1-c1cccc2[nH]ccc12
InChIInChI=1S/C22H18N6/c1-15-13-25-22(26-16-4-2-5-17(12-16)28-11-10-23-14-28)27-21(15)19-6-3-7-20-18(19)8-9-24-20/h2-14,24H,1H3,(H,25,26,27)
InChIKeyMKNNXPYSOIDWFQ-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.86
Rot. Bonds4

About N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine

N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine (PubChem CID 24962128) has the molecular formula C22H18N6 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine
PubChem CID24962128
Molecular FormulaC22H18N6
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC NameN-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(Nc2cccc(-n3ccnc3)c2)nc1-c1cccc2[nH]ccc12
InChIInChI=1S/C22H18N6/c1-15-13-25-22(26-16-4-2-5-17(12-16)28-11-10-23-14-28)27-21(15)19-6-3-7-20-18(19)8-9-24-20/h2-14,24H,1H3,(H,25,26,27)
InChIKeyMKNNXPYSOIDWFQ-UHFFFAOYSA-N
XLogP4.86
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-[[4-(1H-indol-4-yl)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 24962486
3-[[5-methyl-4-(7H-pyrrolo[2,3-c]pyridazin-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 59279658
3-[[2-(4-imidazol-1-ylanilino)-5-methylpyrimidin-4-yl]amino]-N-prop-1-en-2-ylbenzenesulfonamide
CID 89190588
5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine
CID 123474723
N-(3-bromo-4-methylphenyl)-2-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-3-amine
CID 46778917
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
2-N-(1H-indol-4-yl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25103278
4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine
CID 90165844
3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868679
4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
CID 106593713
5-methyl-2-N-[4-[4-(methylamino)butylamino]phenyl]-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine
CID 143453226

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine?
The IUPAC name of N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine (CID 24962128) is N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine is Cc1cnc(Nc2cccc(-n3ccnc3)c2)nc1-c1cccc2[nH]ccc12.
What is the InChIKey of N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine?
The InChIKey is MKNNXPYSOIDWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6/c1-15-13-25-22(26-16-4-2-5-17(12-16)28-11-10-23-14-28)27-21(15)19-6-3-7-20-18(19)8-9-24-20/h2-14,24H,1H3,(H,25,26,27).
What are the key properties of N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine?
N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine has a molecular weight of 366.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylphenyl)-4-(1H-indol-4-yl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 24962128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).