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

C20H26N6O2 — CID 58014879

IUPAC4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCC(O)CC3)cc2)nc1NC1CCC1
InChIInChI=1S/C20H26N6O2/c21-18(28)17-12-22-20(25-19(17)23-13-2-1-3-13)24-14-4-6-15(7-5-14)26-10-8-16(27)9-11-26/h4-7,12-13,16,27H,1-3,8-11H2,(H2,21,28)(H2,22,23,24,25)
InChIKeyHRXZHBOWBDSXDE-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.24
Rot. Bonds6

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

4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 58014879) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide
PubChem CID58014879
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCC(O)CC3)cc2)nc1NC1CCC1
InChIInChI=1S/C20H26N6O2/c21-18(28)17-12-22-20(25-19(17)23-13-2-1-3-13)24-14-4-6-15(7-5-14)26-10-8-16(27)9-11-26/h4-7,12-13,16,27H,1-3,8-11H2,(H2,21,28)(H2,22,23,24,25)
InChIKeyHRXZHBOWBDSXDE-UHFFFAOYSA-N
XLogP2.24
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 5330345
4-[(2-Azanylpyrimidin-4-Yl)amino]-~{n}-[4-(4-Methylpiperazin-1-Yl)phenyl]-2-Oxidanylidene-1~{h}-Pyridine-3-Carboxamide
CID 102515537
2-((4-Morpholin-4-ylphenyl)amino)-4-((2,3,6-trifluorobenzyl)amino)pyrimidine-5-carboxamide
CID 10321901
2-(4-Morpholin-4-ylanilino)-4-[(2,4,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 44561163
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CID 5330222
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CID 9801356
4-[(2,6-Difluorobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 10071935
8-Cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 16058898
2-(2-Aminoethylamino)-4-(phenylamino)pyrimidine-5-carboxamide
CID 22958832
4-Benzylamino-2-[(4-piperazin-1-ylphenyl)amino]-pyrimidine-5-carboxamide
CID 23071563

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide (CID 58014879) is 4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc(N3CCC(O)CC3)cc2)nc1NC1CCC1.
What is the InChIKey of 4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is HRXZHBOWBDSXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c21-18(28)17-12-22-20(25-19(17)23-13-2-1-3-13)24-14-4-6-15(7-5-14)26-10-8-16(27)9-11-26/h4-7,12-13,16,27H,1-3,8-11H2,(H2,21,28)(H2,22,23,24,25).
What are the key properties of 4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-2-[4-(4-hydroxypiperidin-1-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 58014879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).