6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine

C14H21F2N3O — CID 59590602

IUPAC6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine
SMILESCOc1nc(C(C)C)c2c(n1)N(C(C)C)CC(F)(F)C2
InChIInChI=1S/C14H21F2N3O/c1-8(2)11-10-6-14(15,16)7-19(9(3)4)12(10)18-13(17-11)20-5/h8-9H,6-7H2,1-5H3
InChIKeyMRCMDGJBSHSJKQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.01
Rot. Bonds3

About 6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine

6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine (PubChem CID 59590602) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine
PubChem CID59590602
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine
SMILESCOc1nc(C(C)C)c2c(n1)N(C(C)C)CC(F)(F)C2
InChIInChI=1S/C14H21F2N3O/c1-8(2)11-10-6-14(15,16)7-19(9(3)4)12(10)18-13(17-11)20-5/h8-9H,6-7H2,1-5H3
InChIKeyMRCMDGJBSHSJKQ-UHFFFAOYSA-N
XLogP3.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine?
The IUPAC name of 6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine (CID 59590602) is 6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine is COc1nc(C(C)C)c2c(n1)N(C(C)C)CC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine?
The InChIKey is MRCMDGJBSHSJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-8(2)11-10-6-14(15,16)7-19(9(3)4)12(10)18-13(17-11)20-5/h8-9H,6-7H2,1-5H3.
What are the key properties of 6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine?
6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine has a molecular weight of 285.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-methoxy-4,8-di(propan-2-yl)-5,7-dihydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 59590602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).