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

C19H20N4O2S — CID 77084554

IUPACN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cccnc1C(NC(=O)c1sc2ncn(C)c(=O)c2c1C)C1CC1
InChIInChI=1S/C19H20N4O2S/c1-10-5-4-8-20-14(10)15(12-6-7-12)22-17(24)16-11(2)13-18(26-16)21-9-23(3)19(13)25/h4-5,8-9,12,15H,6-7H2,1-3H3,(H,22,24)
InChIKeyNAXUKQIFDXADHM-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.89
Rot. Bonds4

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

N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 77084554) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID77084554
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cccnc1C(NC(=O)c1sc2ncn(C)c(=O)c2c1C)C1CC1
InChIInChI=1S/C19H20N4O2S/c1-10-5-4-8-20-14(10)15(12-6-7-12)22-17(24)16-11(2)13-18(26-16)21-9-23(3)19(13)25/h4-5,8-9,12,15H,6-7H2,1-3H3,(H,22,24)
InChIKeyNAXUKQIFDXADHM-UHFFFAOYSA-N
XLogP2.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26691237
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 38325807
3,5-dimethyl-4-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 38197107
3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 100671445
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 122563544
N-(3-chlorophenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23828047
3,5-dimethyl-4-oxo-N-(2-phenylpyrimidin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134009535
N-(2-anilino-2-oxo-1-phenylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55779226
3-(4-chlorophenyl)-3-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 167835581
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 15999563
N-(2-cyclohexylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53498116
3,5-dimethyl-4-oxo-N-(9H-xanthen-9-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 56547416

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 77084554) is N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1cccnc1C(NC(=O)c1sc2ncn(C)c(=O)c2c1C)C1CC1.
What is the InChIKey of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NAXUKQIFDXADHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-10-5-4-8-20-14(10)15(12-6-7-12)22-17(24)16-11(2)13-18(26-16)21-9-23(3)19(13)25/h4-5,8-9,12,15H,6-7H2,1-3H3,(H,22,24).
What are the key properties of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 77084554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).