2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

C18H26N4O6 — CID 175335579

IUPAC2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2c(n1)CCN(C(=O)O)C2
InChIInChI=1S/C18H26N4O6/c1-17(2,3)27-15(25)22(16(26)28-18(4,5)6)13-19-9-11-10-21(14(23)24)8-7-12(11)20-13/h9H,7-8,10H2,1-6H3,(H,23,24)
InChIKeyBTBYHSNJHMHHGB-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.19
Rot. Bonds1

About 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (PubChem CID 175335579) has the molecular formula C18H26N4O6 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
PubChem CID175335579
Molecular FormulaC18H26N4O6
Molecular Weight394.43 g/mol
Exact Mass394.19
IUPAC Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2c(n1)CCN(C(=O)O)C2
InChIInChI=1S/C18H26N4O6/c1-17(2,3)27-15(25)22(16(26)28-18(4,5)6)13-19-9-11-10-21(14(23)24)8-7-12(11)20-13/h9H,7-8,10H2,1-6H3,(H,23,24)
InChIKeyBTBYHSNJHMHHGB-UHFFFAOYSA-N
XLogP3.19
TPSA122.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (CID 175335579) is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2c(n1)CCN(C(=O)O)C2.
What is the InChIKey of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is BTBYHSNJHMHHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O6/c1-17(2,3)27-15(25)22(16(26)28-18(4,5)6)13-19-9-11-10-21(14(23)24)8-7-12(11)20-13/h9H,7-8,10H2,1-6H3,(H,23,24).
What are the key properties of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 394.43 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 175335579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).