N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide

C16H21N5O2 — CID 109301340

IUPACN-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)NCCN(C)C)n1
InChIInChI=1S/C16H21N5O2/c1-21(2)11-10-17-15(22)13-8-9-18-16(20-13)19-12-6-4-5-7-14(12)23-3/h4-9H,10-11H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyMVXMWVFTNKSRPR-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.52
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109301340) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109301340
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)NCCN(C)C)n1
InChIInChI=1S/C16H21N5O2/c1-21(2)11-10-17-15(22)13-8-9-18-16(20-13)19-12-6-4-5-7-14(12)23-3/h4-9H,10-11H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyMVXMWVFTNKSRPR-UHFFFAOYSA-N
XLogP1.52
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311065
2-(2-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301990
2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313021
ethyl 2-[[4-[3-(dimethylamino)propylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109302013
2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308648
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299605
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056
N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311906
N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109325125
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide (CID 109301340) is N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide is COc1ccccc1Nc1nccc(C(=O)NCCN(C)C)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is MVXMWVFTNKSRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-21(2)11-10-17-15(22)13-8-9-18-16(20-13)19-12-6-4-5-7-14(12)23-3/h4-9H,10-11H2,1-3H3,(H,17,22)(H,18,19,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).