N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C15H22N6O2 — CID 122293384

IUPACN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCNc1cc(NCCNC(=O)c2c(C)noc2C)nc(C)n1
InChIInChI=1S/C15H22N6O2/c1-5-16-12-8-13(20-11(4)19-12)17-6-7-18-15(22)14-9(2)21-23-10(14)3/h8H,5-7H2,1-4H3,(H,18,22)(H2,16,17,19,20)
InChIKeyIVFLYTHXUIJCDW-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.66
Rot. Bonds7

About N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 122293384) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID122293384
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCNc1cc(NCCNC(=O)c2c(C)noc2C)nc(C)n1
InChIInChI=1S/C15H22N6O2/c1-5-16-12-8-13(20-11(4)19-12)17-6-7-18-15(22)14-9(2)21-23-10(14)3/h8H,5-7H2,1-4H3,(H,18,22)(H2,16,17,19,20)
InChIKeyIVFLYTHXUIJCDW-UHFFFAOYSA-N
XLogP1.66
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 45497028
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 121074564
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide
CID 122293394
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 122293406
2,4-dichloro-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 121074568
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-iodobenzamide
CID 121074596
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-difluorobenzamide
CID 122293306
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]pentanamide
CID 121074548
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-5-fluoropyridine-3-carboxamide
CID 122293470
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methoxypyridine-4-carboxamide
CID 122293459
3,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 37394488

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 122293384) is N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCNc1cc(NCCNC(=O)c2c(C)noc2C)nc(C)n1.
What is the InChIKey of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is IVFLYTHXUIJCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-5-16-12-8-13(20-11(4)19-12)17-6-7-18-15(22)14-9(2)21-23-10(14)3/h8H,5-7H2,1-4H3,(H,18,22)(H2,16,17,19,20).
What are the key properties of N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 122293384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).