2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine

C22H17N5S — CID 57152815

IUPAC2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine
SMILESCNc1nc(-n2ccnc2)nc(-c2cccc3ccccc23)c1-c1cccs1
InChIInChI=1S/C22H17N5S/c1-23-21-19(18-10-5-13-28-18)20(25-22(26-21)27-12-11-24-14-27)17-9-4-7-15-6-2-3-8-16(15)17/h2-14H,1H3,(H,23,25,26)
InChIKeyZXTKRBHQYKODTC-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.25
Rot. Bonds4

About 2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine

2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine (PubChem CID 57152815) has the molecular formula C22H17N5S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine
PubChem CID57152815
Molecular FormulaC22H17N5S
Molecular Weight383.48 g/mol
Exact Mass383.12
IUPAC Name2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine
SMILESCNc1nc(-n2ccnc2)nc(-c2cccc3ccccc23)c1-c1cccs1
InChIInChI=1S/C22H17N5S/c1-23-21-19(18-10-5-13-28-18)20(25-22(26-21)27-12-11-24-14-27)17-9-4-7-15-6-2-3-8-16(15)17/h2-14H,1H3,(H,23,25,26)
InChIKeyZXTKRBHQYKODTC-UHFFFAOYSA-N
XLogP5.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(10-naphthalen-1-ylanthracen-9-yl)thiophene
CID 89341887
N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 22402364
N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 22402376
4-(1-benzothiophen-7-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 81129851
2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol
CID 67619633
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80770959
5-benzyl-4-naphthalen-1-yl-6-thiophen-2-ylpyrimidin-2-amine
CID 139449765
1-naphthalen-1-ylimidazole;hydrochloride
CID 175383926
2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine
CID 54029276
2-imidazol-1-yl-N-(4-methoxyphenyl)-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 67769093
6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-pyridin-3-ylpyrimidin-4-amine
CID 57121492
6-(1,3-benzodioxol-5-yl)-2-imidazol-1-yl-N-methyl-5-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
CID 67620047

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of 2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine (CID 57152815) is 2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine is CNc1nc(-n2ccnc2)nc(-c2cccc3ccccc23)c1-c1cccs1.
What is the InChIKey of 2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is ZXTKRBHQYKODTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5S/c1-23-21-19(18-10-5-13-28-18)20(25-22(26-21)27-12-11-24-14-27)17-9-4-7-15-6-2-3-8-16(15)17/h2-14H,1H3,(H,23,25,26).
What are the key properties of 2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine?
2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 383.48 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 57152815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).