N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine

C14H15N5S — CID 80892293

IUPACN-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1cc(Sc2nc3ccc(C)cc3[nH]2)ncn1
InChIInChI=1S/C14H15N5S/c1-3-15-12-7-13(17-8-16-12)20-14-18-10-5-4-9(2)6-11(10)19-14/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyBOUCOLOLUNDCPR-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.24
Rot. Bonds4

About N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine

N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 80892293) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID80892293
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC NameN-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCCNc1cc(Sc2nc3ccc(C)cc3[nH]2)ncn1
InChIInChI=1S/C14H15N5S/c1-3-15-12-7-13(17-8-16-12)20-14-18-10-5-4-9(2)6-11(10)19-14/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyBOUCOLOLUNDCPR-UHFFFAOYSA-N
XLogP3.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80883538
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80882835
2-(6-propylpyrimidin-4-yl)sulfanyl-3H-benzimidazol-5-amine
CID 61370433
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidine-5-carbaldehyde
CID 113388625
[2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769891
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 62873903
4-methyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]aniline
CID 63517780
[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 113368309
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 80892293) is N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine is CCNc1cc(Sc2nc3ccc(C)cc3[nH]2)ncn1.
What is the InChIKey of N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is BOUCOLOLUNDCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-3-15-12-7-13(17-8-16-12)20-14-18-10-5-4-9(2)6-11(10)19-14/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine?
N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 285.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80892293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).