4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide

C17H20N6O3 — CID 44594514

IUPAC4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C(=O)NCCO)cc2)nc1NC1CC1
InChIInChI=1S/C17H20N6O3/c18-14(25)13-9-20-17(23-15(13)21-11-5-6-11)22-12-3-1-10(2-4-12)16(26)19-7-8-24/h1-4,9,11,24H,5-8H2,(H2,18,25)(H,19,26)(H2,20,21,22,23)
InChIKeyRYSKCTAISSFRBM-UHFFFAOYSA-N
MW356.39 g/mol
LogP0.62
Rot. Bonds8

About 4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide

4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide (PubChem CID 44594514) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide
PubChem CID44594514
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C(=O)NCCO)cc2)nc1NC1CC1
InChIInChI=1S/C17H20N6O3/c18-14(25)13-9-20-17(23-15(13)21-11-5-6-11)22-12-3-1-10(2-4-12)16(26)19-7-8-24/h1-4,9,11,24H,5-8H2,(H2,18,25)(H,19,26)(H2,20,21,22,23)
InChIKeyRYSKCTAISSFRBM-UHFFFAOYSA-N
XLogP0.62
TPSA142.26 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide (CID 44594514) is 4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc(C(=O)NCCO)cc2)nc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is RYSKCTAISSFRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c18-14(25)13-9-20-17(23-15(13)21-11-5-6-11)22-12-3-1-10(2-4-12)16(26)19-7-8-24/h1-4,9,11,24H,5-8H2,(H2,18,25)(H,19,26)(H2,20,21,22,23).
What are the key properties of 4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 0.62, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-[4-(2-hydroxyethylcarbamoyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 44594514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).