4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide

C17H16N6OS — CID 58014748

IUPAC4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(-c3cscn3)cc2)nc1NC1CC1
InChIInChI=1S/C17H16N6OS/c18-15(24)13-7-19-17(23-16(13)21-11-5-6-11)22-12-3-1-10(2-4-12)14-8-25-9-20-14/h1-4,7-9,11H,5-6H2,(H2,18,24)(H2,19,21,22,23)
InChIKeyMRKVTGWFUVHQOF-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.02
Rot. Bonds6

About 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide

4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 58014748) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide
PubChem CID58014748
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(-c3cscn3)cc2)nc1NC1CC1
InChIInChI=1S/C17H16N6OS/c18-15(24)13-7-19-17(23-16(13)21-11-5-6-11)22-12-3-1-10(2-4-12)14-8-25-9-20-14/h1-4,7-9,11H,5-6H2,(H2,18,24)(H2,19,21,22,23)
InChIKeyMRKVTGWFUVHQOF-UHFFFAOYSA-N
XLogP3.02
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide (CID 58014748) is 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc(-c3cscn3)cc2)nc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is MRKVTGWFUVHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c18-15(24)13-7-19-17(23-16(13)21-11-5-6-11)22-12-3-1-10(2-4-12)14-8-25-9-20-14/h1-4,7-9,11H,5-6H2,(H2,18,24)(H2,19,21,22,23).
What are the key properties of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 58014748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).