4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide

C18H22N6O3 — CID 58014767

IUPAC4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C(=O)NCCCO)cc2)nc1NC1CC1
InChIInChI=1S/C18H22N6O3/c19-15(26)14-10-21-18(24-16(14)22-12-6-7-12)23-13-4-2-11(3-5-13)17(27)20-8-1-9-25/h2-5,10,12,25H,1,6-9H2,(H2,19,26)(H,20,27)(H2,21,22,23,24)
InChIKeyLJFITNVSIZFEPA-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.01
Rot. Bonds9

About 4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide

4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide (PubChem CID 58014767) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide
PubChem CID58014767
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C(=O)NCCCO)cc2)nc1NC1CC1
InChIInChI=1S/C18H22N6O3/c19-15(26)14-10-21-18(24-16(14)22-12-6-7-12)23-13-4-2-11(3-5-13)17(27)20-8-1-9-25/h2-5,10,12,25H,1,6-9H2,(H2,19,26)(H,20,27)(H2,21,22,23,24)
InChIKeyLJFITNVSIZFEPA-UHFFFAOYSA-N
XLogP1.01
TPSA142.26 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide (CID 58014767) is 4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc(C(=O)NCCCO)cc2)nc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is LJFITNVSIZFEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c19-15(26)14-10-21-18(24-16(14)22-12-6-7-12)23-13-4-2-11(3-5-13)17(27)20-8-1-9-25/h2-5,10,12,25H,1,6-9H2,(H2,19,26)(H,20,27)(H2,21,22,23,24).
What are the key properties of 4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.01, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-[4-(3-hydroxypropylcarbamoyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 58014767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).