ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine

C27H37N7OS — CID 144655918

IUPACethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine
SMILESCC.CC.CC.Cc1cc2ncncc2[nH]1.Cc1cc2ncncc2o1.Cc1cc2ncncc2s1
InChIInChI=1S/C7H7N3.C7H6N2O.C7H6N2S.3C2H6/c3*1-5-2-6-7(10-5)3-8-4-9-6;3*1-2/h2-4,10H,1H3;2*2-4H,1H3;3*1-2H3
InChIKeyOEHDLWFVJRGVLO-UHFFFAOYSA-N
MW507.71 g/mol
LogP7.88
Rot. Bonds

About ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine

ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine (PubChem CID 144655918) has the molecular formula C27H37N7OS and a molecular weight of 507.71 g/mol. Its IUPAC name is ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Nameethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine
PubChem CID144655918
Molecular FormulaC27H37N7OS
Molecular Weight507.71 g/mol
Exact Mass507.28
IUPAC Nameethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine
SMILESCC.CC.CC.Cc1cc2ncncc2[nH]1.Cc1cc2ncncc2o1.Cc1cc2ncncc2s1
InChIInChI=1S/C7H7N3.C7H6N2O.C7H6N2S.3C2H6/c3*1-5-2-6-7(10-5)3-8-4-9-6;3*1-2/h2-4,10H,1H3;2*2-4H,1H3;3*1-2H3
InChIKeyOEHDLWFVJRGVLO-UHFFFAOYSA-N
XLogP7.88
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.71
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine with MolForge

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Related Compounds

2-(furan-2-yl)-5-N-(pyridin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436766
N-(4-pyridin-2-ylpyrimidin-2-yl)-2-thiophen-2-yl-1,3-benzoxazol-6-amine
CID 71233803
N-(5-methoxy-3-pyridinyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 137538684
US20250289799, Example 113
CID 176244155
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 9113070
2-chloro-N-[[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methyl]furo[3,2-d]pyrimidin-4-amine
CID 176244106
N-phenyl-7-oxa-5-thia-3,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-9-amine
CID 21137162
furo[3,2-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine
CID 66783956
2-[2-(5-methylfuran-2-yl)-3H-benzimidazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine
CID 70864396
ethane;N-phenyl-7-oxa-5-thia-3,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaen-9-amine
CID 91257681
N-[4-(1-methylimidazol-4-yl)thieno[2,3-c]pyridin-3-yl]furo[2,3-c]pyridin-7-amine
CID 123214630
N-[4-(2,3-dimethylimidazol-4-yl)thieno[2,3-c]pyridin-3-yl]furo[2,3-c]pyridin-7-amine
CID 123708812

Frequently Asked Questions

What is the IUPAC name of ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine?
The IUPAC name of ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine (CID 144655918) is ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine is CC.CC.CC.Cc1cc2ncncc2[nH]1.Cc1cc2ncncc2o1.Cc1cc2ncncc2s1.
What is the InChIKey of ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine?
The InChIKey is OEHDLWFVJRGVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C7H6N2O.C7H6N2S.3C2H6/c3*1-5-2-6-7(10-5)3-8-4-9-6;3*1-2/h2-4,10H,1H3;2*2-4H,1H3;3*1-2H3.
What are the key properties of ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine?
ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine has a molecular weight of 507.71 g/mol, XLogP of 7.88, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylfuro[3,2-d]pyrimidine;6-methyl-5H-pyrrolo[3,2-d]pyrimidine;6-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 144655918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).