6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine

C16H17N5OS — CID 86772973

IUPAC6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCc4ncnc(OC)c4C3)ncnc2s1
InChIInChI=1S/C16H17N5OS/c1-3-10-6-11-14(18-9-20-16(11)23-10)21-5-4-13-12(7-21)15(22-2)19-8-17-13/h6,8-9H,3-5,7H2,1-2H3
InChIKeyQQSCJEWKLDPLPI-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.62
Rot. Bonds3

About 6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine

6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine (PubChem CID 86772973) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine
PubChem CID86772973
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCc4ncnc(OC)c4C3)ncnc2s1
InChIInChI=1S/C16H17N5OS/c1-3-10-6-11-14(18-9-20-16(11)23-10)21-5-4-13-12(7-21)15(22-2)19-8-17-13/h6,8-9H,3-5,7H2,1-2H3
InChIKeyQQSCJEWKLDPLPI-UHFFFAOYSA-N
XLogP2.62
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

6-(6-Methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
CID 122178114
8,8-dimethyl-7,10-dihydro-8H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl isopentyl ether
CID 1214033
6-(5-Fluoro-6-methoxy-3-pyridinyl)-4-pyridin-4-ylthieno[2,3-d]pyrimidine
CID 122178116
4-[(3aR,7aR)-5-[(6-methoxypyridin-3-yl)methyl]-3a-methylsulfanyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134364714
4-[(3aR,7aS)-6-[(2-methoxypyridin-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-[1,2]thiazolo[5,4-c]pyridin-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134364767
4-[(3aS,7aS)-5-[(2-methoxypyridin-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 139323118
4-[(3aS,7aS)-5-[(6-methoxypyridin-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 139323141
4-methoxy-N,N-dimethyl-N'-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)benzenecarboximidamide
CID 139225782
6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913777
6-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914827
4-[4-[(3-Fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407850
4-Ethyl-5-fluoro-6-[(1-{thieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)methoxy]pyrimidine
CID 155980671

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine (CID 86772973) is 6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCc4ncnc(OC)c4C3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine?
The InChIKey is QQSCJEWKLDPLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-3-10-6-11-14(18-9-20-16(11)23-10)21-5-4-13-12(7-21)15(22-2)19-8-17-13/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine?
6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine has a molecular weight of 327.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 86772973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).