N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide

C16H20N4O — CID 72916632

IUPACN-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2cc(C)ccc2C)cn1
InChIInChI=1S/C16H20N4O/c1-4-17-16-19-9-14(10-20-16)15(21)18-8-13-7-11(2)5-6-12(13)3/h5-7,9-10H,4,8H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyRHIZJTWLRKQUTB-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.46
Rot. Bonds5

About N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide

N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide (PubChem CID 72916632) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide
PubChem CID72916632
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2cc(C)ccc2C)cn1
InChIInChI=1S/C16H20N4O/c1-4-17-16-19-9-14(10-20-16)15(21)18-8-13-7-11(2)5-6-12(13)3/h5-7,9-10H,4,8H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyRHIZJTWLRKQUTB-UHFFFAOYSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
2-(butylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109248261
N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246763
2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
CID 72860213
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
2-(2,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259146
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97146146
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109256088
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-(ethylamino)pyrimidine-5-carboxamide
CID 72924871
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256217

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide (CID 72916632) is N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCc2cc(C)ccc2C)cn1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide?
The InChIKey is RHIZJTWLRKQUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-17-16-19-9-14(10-20-16)15(21)18-8-13-7-11(2)5-6-12(13)3/h5-7,9-10H,4,8H2,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide?
N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 72916632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).