2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

C11H14F2N4O2 — CID 140626311

IUPAC2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCC(Nc1ncc2c(n1)CN(C(=O)O)CC2)C(F)F
InChIInChI=1S/C11H14F2N4O2/c1-6(9(12)13)15-10-14-4-7-2-3-17(11(18)19)5-8(7)16-10/h4,6,9H,2-3,5H2,1H3,(H,18,19)(H,14,15,16)
InChIKeyVCYFMKLLZVKJFC-UHFFFAOYSA-N
MW272.25 g/mol
LogP1.58
Rot. Bonds3

About 2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid

2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 140626311) has the molecular formula C11H14F2N4O2 and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID140626311
Molecular FormulaC11H14F2N4O2
Molecular Weight272.25 g/mol
Exact Mass272.11
IUPAC Name2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCC(Nc1ncc2c(n1)CN(C(=O)O)CC2)C(F)F
InChIInChI=1S/C11H14F2N4O2/c1-6(9(12)13)15-10-14-4-7-2-3-17(11(18)19)5-8(7)16-10/h4,6,9H,2-3,5H2,1H3,(H,18,19)(H,14,15,16)
InChIKeyVCYFMKLLZVKJFC-UHFFFAOYSA-N
XLogP1.58
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 140626311) is 2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is CC(Nc1ncc2c(n1)CN(C(=O)O)CC2)C(F)F.
What is the InChIKey of 2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is VCYFMKLLZVKJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O2/c1-6(9(12)13)15-10-14-4-7-2-3-17(11(18)19)5-8(7)16-10/h4,6,9H,2-3,5H2,1H3,(H,18,19)(H,14,15,16).
What are the key properties of 2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid?
2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 272.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 140626311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).