methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

C15H19N5O2 — CID 72921383

IUPACmethyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ncnc3nc(C)cc(C)c23)CC1
InChIInChI=1S/C15H19N5O2/c1-10-8-11(2)18-13-12(10)14(17-9-16-13)19-4-6-20(7-5-19)15(21)22-3/h8-9H,4-7H2,1-3H3
InChIKeyXWGNHKVVQLEYJQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.53
Rot. Bonds1

About methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 72921383) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID72921383
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Namemethyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ncnc3nc(C)cc(C)c23)CC1
InChIInChI=1S/C15H19N5O2/c1-10-8-11(2)18-13-12(10)14(17-9-16-13)19-4-6-20(7-5-19)15(21)22-3/h8-9H,4-7H2,1-3H3
InChIKeyXWGNHKVVQLEYJQ-UHFFFAOYSA-N
XLogP1.53
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (CID 72921383) is methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is COC(=O)N1CCN(c2ncnc3nc(C)cc(C)c23)CC1.
What is the InChIKey of methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is XWGNHKVVQLEYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-8-11(2)18-13-12(10)14(17-9-16-13)19-4-6-20(7-5-19)15(21)22-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 72921383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).