N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

C21H26N6O3 — CID 152592615

IUPACN-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCN(O)C2=O)n1
InChIInChI=1S/C21H26N6O3/c1-25(10-9-15-5-3-2-4-6-15)20-23-17(19(28)22-14-16-7-8-16)13-18(24-20)26-11-12-27(30)21(26)29/h2-6,13,16,30H,7-12,14H2,1H3,(H,22,28)
InChIKeyYVUITSPJBIQVLA-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.93
Rot. Bonds8

About N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 152592615) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
PubChem CID152592615
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC NameN-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCN(O)C2=O)n1
InChIInChI=1S/C21H26N6O3/c1-25(10-9-15-5-3-2-4-6-15)20-23-17(19(28)22-14-16-7-8-16)13-18(24-20)26-11-12-27(30)21(26)29/h2-6,13,16,30H,7-12,14H2,1H3,(H,22,28)
InChIKeyYVUITSPJBIQVLA-UHFFFAOYSA-N
XLogP1.93
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (CID 152592615) is N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCN(O)C2=O)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is YVUITSPJBIQVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-25(10-9-15-5-3-2-4-6-15)20-23-17(19(28)22-14-16-7-8-16)13-18(24-20)26-11-12-27(30)21(26)29/h2-6,13,16,30H,7-12,14H2,1H3,(H,22,28).
What are the key properties of N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 152592615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).