2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C25H24N4O2S — CID 46475896

IUPAC2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NCc3ccnc(OCc4ccccc4)c3)c(C)c12
InChIInChI=1S/C25H24N4O2S/c1-15-21-16(2)28-23(19-8-9-19)29-25(21)32-22(15)24(30)27-13-18-10-11-26-20(12-18)31-14-17-6-4-3-5-7-17/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,27,30)
InChIKeyFAOOOTLVKRTGBQ-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.09
Rot. Bonds7

About 2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46475896) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46475896
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NCc3ccnc(OCc4ccccc4)c3)c(C)c12
InChIInChI=1S/C25H24N4O2S/c1-15-21-16(2)28-23(19-8-9-19)29-25(21)32-22(15)24(30)27-13-18-10-11-26-20(12-18)31-14-17-6-4-3-5-7-17/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,27,30)
InChIKeyFAOOOTLVKRTGBQ-UHFFFAOYSA-N
XLogP5.09
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292
2-cyclopropyl-4,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55901633
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706996
2-cyclopropyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55692702
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24683186
N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24662376
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30706606
2-cyclopropyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55819206
2-cyclopropyl-4,5-dimethyl-N-[3-(1-phenylethoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46550056
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24666705

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 46475896) is 2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C2CC2)nc2sc(C(=O)NCc3ccnc(OCc4ccccc4)c3)c(C)c12.
What is the InChIKey of 2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FAOOOTLVKRTGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-15-21-16(2)28-23(19-8-9-19)29-25(21)32-22(15)24(30)27-13-18-10-11-26-20(12-18)31-14-17-6-4-3-5-7-17/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,27,30).
What are the key properties of 2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,5-dimethyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46475896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).