6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine

C17H15N5S — CID 110430898

IUPAC6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(Sc3nccn3C)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C17H15N5S/c1-11-10-13-15(19-11)20-14(12-6-4-3-5-7-12)21-16(13)23-17-18-8-9-22(17)2/h3-10H,1-2H3,(H,19,20,21)
InChIKeyDMDKUFGUPFBOEV-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.82
Rot. Bonds3

About 6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine

6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 110430898) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID110430898
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(Sc3nccn3C)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C17H15N5S/c1-11-10-13-15(19-11)20-14(12-6-4-3-5-7-12)21-16(13)23-17-18-8-9-22(17)2/h3-10H,1-2H3,(H,19,20,21)
InChIKeyDMDKUFGUPFBOEV-UHFFFAOYSA-N
XLogP3.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylimidazol-2-yl)sulfanyl-2-phenylquinazoline
CID 4785528
4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430714
2-chloro-4-(1-methylimidazol-2-yl)sulfanylquinazoline
CID 62475828
2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 110431089
N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431076
N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430534
N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430982
2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80990667
N-(3-methoxypropyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430658
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
(2S)-1-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;sulfane
CID 158883891
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 110431153

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine (CID 110430898) is 6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1cc2c(Sc3nccn3C)nc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is DMDKUFGUPFBOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-11-10-13-15(19-11)20-14(12-6-4-3-5-7-12)21-16(13)23-17-18-8-9-22(17)2/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 321.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 110430898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).