4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide

C19H24N6O2 — CID 58014949

IUPAC4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCC(O)CC3)cc2)nc1NC1CC1
InChIInChI=1S/C19H24N6O2/c20-17(27)16-11-21-19(24-18(16)22-12-1-2-12)23-13-3-5-14(6-4-13)25-9-7-15(26)8-10-25/h3-6,11-12,15,26H,1-2,7-10H2,(H2,20,27)(H2,21,22,23,24)
InChIKeyORRUMRPFGASMIQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.85
Rot. Bonds6

About 4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide

4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 58014949) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide
PubChem CID58014949
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCC(O)CC3)cc2)nc1NC1CC1
InChIInChI=1S/C19H24N6O2/c20-17(27)16-11-21-19(24-18(16)22-12-1-2-12)23-13-3-5-14(6-4-13)25-9-7-15(26)8-10-25/h3-6,11-12,15,26H,1-2,7-10H2,(H2,20,27)(H2,21,22,23,24)
InChIKeyORRUMRPFGASMIQ-UHFFFAOYSA-N
XLogP1.85
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide (CID 58014949) is 4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc(N3CCC(O)CC3)cc2)nc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is ORRUMRPFGASMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c20-17(27)16-11-21-19(24-18(16)22-12-1-2-12)23-13-3-5-14(6-4-13)25-9-7-15(26)8-10-25/h3-6,11-12,15,26H,1-2,7-10H2,(H2,20,27)(H2,21,22,23,24).
What are the key properties of 4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.85, 6 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-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 58014949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).