ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate

C17H22N6O2 — CID 70671638

IUPACethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(N)nc(C)c2-c2cccnc2)CC1
InChIInChI=1S/C17H22N6O2/c1-3-25-17(24)23-9-7-22(8-10-23)15-14(12(2)20-16(18)21-15)13-5-4-6-19-11-13/h4-6,11H,3,7-10H2,1-2H3,(H2,18,20,21)
InChIKeySDRZPIGHDQVZCK-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.71
Rot. Bonds3

About ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate

ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 70671638) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID70671638
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Nameethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(N)nc(C)c2-c2cccnc2)CC1
InChIInChI=1S/C17H22N6O2/c1-3-25-17(24)23-9-7-22(8-10-23)15-14(12(2)20-16(18)21-15)13-5-4-6-19-11-13/h4-6,11H,3,7-10H2,1-2H3,(H2,18,20,21)
InChIKeySDRZPIGHDQVZCK-UHFFFAOYSA-N
XLogP1.71
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate (CID 70671638) is ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(N)nc(C)c2-c2cccnc2)CC1.
What is the InChIKey of ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is SDRZPIGHDQVZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-3-25-17(24)23-9-7-22(8-10-23)15-14(12(2)20-16(18)21-15)13-5-4-6-19-11-13/h4-6,11H,3,7-10H2,1-2H3,(H2,18,20,21).
What are the key properties of ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 70671638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).