N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide

C16H20N4O2 — CID 109262395

IUPACN,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(OC)cc2)nc1
InChIInChI=1S/C16H20N4O2/c1-4-20(5-2)15(21)12-10-17-16(18-11-12)19-13-6-8-14(22-3)9-7-13/h6-11H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyJXDUDADNYXFISS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.71
Rot. Bonds6

About N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide

N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109262395) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109262395
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(OC)cc2)nc1
InChIInChI=1S/C16H20N4O2/c1-4-20(5-2)15(21)12-10-17-16(18-11-12)19-13-6-8-14(22-3)9-7-13/h6-11H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyJXDUDADNYXFISS-UHFFFAOYSA-N
XLogP2.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262455
2-(3,4-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262443
2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262459
N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109262419
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262433
N,N-diethyl-4-[(5-nitropyrimidin-2-yl)amino]benzamide
CID 133467286
N-benzyl-2-(3,4-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258399
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258397
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109251111
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109267728

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide (CID 109262395) is N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(Nc2ccc(OC)cc2)nc1.
What is the InChIKey of N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is JXDUDADNYXFISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-20(5-2)15(21)12-10-17-16(18-11-12)19-13-6-8-14(22-3)9-7-13/h6-11H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide?
N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).