N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C19H18N4O3S — CID 38325807

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C19H18N4O3S/c1-10-14-18(20-9-23(2)19(14)26)27-15(10)17(25)22-13-5-3-4-12(8-13)21-16(24)11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyKRQFCZWRVDCYKI-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.90
Rot. Bonds4

About N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 38325807) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID38325807
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)sc2ncn(C)c(=O)c12
InChIInChI=1S/C19H18N4O3S/c1-10-14-18(20-9-23(2)19(14)26)27-15(10)17(25)22-13-5-3-4-12(8-13)21-16(24)11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyKRQFCZWRVDCYKI-UHFFFAOYSA-N
XLogP2.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 38325807) is N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)sc2ncn(C)c(=O)c12.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KRQFCZWRVDCYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-10-14-18(20-9-23(2)19(14)26)27-15(10)17(25)22-13-5-3-4-12(8-13)21-16(24)11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 38325807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).