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

C18H21N5O3 — CID 154608960

IUPAC4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C(=O)CCCO)cc2)nc1NC1CC1
InChIInChI=1S/C18H21N5O3/c19-16(26)14-10-20-18(23-17(14)21-12-7-8-12)22-13-5-3-11(4-6-13)15(25)2-1-9-24/h3-6,10,12,24H,1-2,7-9H2,(H2,19,26)(H2,20,21,22,23)
InChIKeyGZVKIJQOMHUNCG-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.85
Rot. Bonds9

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

4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide (PubChem CID 154608960) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide
PubChem CID154608960
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C(=O)CCCO)cc2)nc1NC1CC1
InChIInChI=1S/C18H21N5O3/c19-16(26)14-10-20-18(23-17(14)21-12-7-8-12)22-13-5-3-11(4-6-13)15(25)2-1-9-24/h3-6,10,12,24H,1-2,7-9H2,(H2,19,26)(H2,20,21,22,23)
InChIKeyGZVKIJQOMHUNCG-UHFFFAOYSA-N
XLogP1.85
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide (CID 154608960) is 4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc(C(=O)CCCO)cc2)nc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is GZVKIJQOMHUNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c19-16(26)14-10-20-18(23-17(14)21-12-7-8-12)22-13-5-3-11(4-6-13)15(25)2-1-9-24/h3-6,10,12,24H,1-2,7-9H2,(H2,19,26)(H2,20,21,22,23).
What are the key properties of 4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.85, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-[4-(4-hydroxybutanoyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 154608960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).