N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide

C18H25N5O2 — CID 109325125

IUPACN-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nc(C)cc(C(=O)NCCN(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-5-25-16-9-7-6-8-14(16)21-18-20-13(2)12-15(22-18)17(24)19-10-11-23(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyLXUSXNSZYWKXMA-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.22
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109325125) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109325125
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nc(C)cc(C(=O)NCCN(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-5-25-16-9-7-6-8-14(16)21-18-20-13(2)12-15(22-18)17(24)19-10-11-23(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,19,24)(H,20,21,22)
InChIKeyLXUSXNSZYWKXMA-UHFFFAOYSA-N
XLogP2.22
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325154
N-tert-butyl-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109332780
2-(2-ethoxyanilino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329813
2-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325164
6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109319229
2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325183
2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337616
2-(2-ethoxyanilino)-6-methylpyrimidine-4-carbothioamide
CID 107546227
N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109301340
2-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325132
2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320348
2-(2-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319157

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109325125) is N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide is CCOc1ccccc1Nc1nc(C)cc(C(=O)NCCN(C)C)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is LXUSXNSZYWKXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-5-25-16-9-7-6-8-14(16)21-18-20-13(2)12-15(22-18)17(24)19-10-11-23(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,19,24)(H,20,21,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.22, 8 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-ethoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109325125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).