ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate

C19H23N5O3 — CID 109373077

IUPACethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(Nc3ccccc3)nc(C)n2)CC1
InChIInChI=1S/C19H23N5O3/c1-3-27-19(26)24-11-9-23(10-12-24)18(25)16-13-17(21-14(2)20-16)22-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,20,21,22)
InChIKeyIYQIGXZVUBTSCD-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.44
Rot. Bonds4

About ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate

ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate (PubChem CID 109373077) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate
PubChem CID109373077
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Nameethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc(Nc3ccccc3)nc(C)n2)CC1
InChIInChI=1S/C19H23N5O3/c1-3-27-19(26)24-11-9-23(10-12-24)18(25)16-13-17(21-14(2)20-16)22-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,20,21,22)
InChIKeyIYQIGXZVUBTSCD-UHFFFAOYSA-N
XLogP2.44
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109368258
ethyl 4-[6-(2-methoxyanilino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109373094
ethyl 4-[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109368526
[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109372642
ethyl 4-[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109365034
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098907
azepan-1-yl-[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847776
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367110
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
ethyl 4-[6-(4-ethylanilino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352871
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367097
(6-anilino-2-methylpyrimidin-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 112847218

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate (CID 109373077) is ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc(Nc3ccccc3)nc(C)n2)CC1.
What is the InChIKey of ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is IYQIGXZVUBTSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-3-27-19(26)24-11-9-23(10-12-24)18(25)16-13-17(21-14(2)20-16)22-15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate?
ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 369.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 109373077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).