2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane

C13H14F2N4O3 — CID 142362010

IUPAC2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane
SMILESCC.O=C(O)c1ccnc(Nc2ccc(OC(F)F)nc2)n1
InChIInChI=1S/C11H8F2N4O3.C2H6/c12-10(13)20-8-2-1-6(5-15-8)16-11-14-4-3-7(17-11)9(18)19;1-2/h1-5,10H,(H,18,19)(H,14,16,17);1-2H3
InChIKeyGWAYJZMYQDMQQN-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.94
Rot. Bonds5

About 2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane

2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane (PubChem CID 142362010) has the molecular formula C13H14F2N4O3 and a molecular weight of 312.28 g/mol. Its IUPAC name is 2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane.

Molecular Properties

Compound Name2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane
PubChem CID142362010
Molecular FormulaC13H14F2N4O3
Molecular Weight312.28 g/mol
Exact Mass312.10
IUPAC Name2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane
SMILESCC.O=C(O)c1ccnc(Nc2ccc(OC(F)F)nc2)n1
InChIInChI=1S/C11H8F2N4O3.C2H6/c12-10(13)20-8-2-1-6(5-15-8)16-11-14-4-3-7(17-11)9(18)19;1-2/h1-5,10H,(H,18,19)(H,14,16,17);1-2H3
InChIKeyGWAYJZMYQDMQQN-UHFFFAOYSA-N
XLogP2.94
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane?
The IUPAC name of 2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane (CID 142362010) is 2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane.
What is the SMILES notation for 2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane?
The canonical SMILES for 2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane is CC.O=C(O)c1ccnc(Nc2ccc(OC(F)F)nc2)n1.
What is the InChIKey of 2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane?
The InChIKey is GWAYJZMYQDMQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O3.C2H6/c12-10(13)20-8-2-1-6(5-15-8)16-11-14-4-3-7(17-11)9(18)19;1-2/h1-5,10H,(H,18,19)(H,14,16,17);1-2H3.
What are the key properties of 2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane?
2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane has a molecular weight of 312.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(difluoromethoxy)-3-pyridinyl]amino]pyrimidine-4-carboxylic acid;ethane is sourced from PubChem (CID 142362010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).