4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide

C22H18F4N4O4 — CID 20824268

IUPAC4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cc(C(=O)NCc2ccc(OC(F)F)cc2)ncn1
InChIInChI=1S/C22H18F4N4O4/c23-21(24)33-15-5-1-13(2-6-15)10-27-19(31)17-9-18(30-12-29-17)20(32)28-11-14-3-7-16(8-4-14)34-22(25)26/h1-9,12,21-22H,10-11H2,(H,27,31)(H,28,32)
InChIKeyJQDPSBSYQRGHSR-UHFFFAOYSA-N
MW478.40 g/mol
LogP3.54
Rot. Bonds10

About 4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide

4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide (PubChem CID 20824268) has the molecular formula C22H18F4N4O4 and a molecular weight of 478.40 g/mol. Its IUPAC name is 4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide
PubChem CID20824268
Molecular FormulaC22H18F4N4O4
Molecular Weight478.40 g/mol
Exact Mass478.13
IUPAC Name4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cc(C(=O)NCc2ccc(OC(F)F)cc2)ncn1
InChIInChI=1S/C22H18F4N4O4/c23-21(24)33-15-5-1-13(2-6-15)10-27-19(31)17-9-18(30-12-29-17)20(32)28-11-14-3-7-16(8-4-14)34-22(25)26/h1-9,12,21-22H,10-11H2,(H,27,31)(H,28,32)
InChIKeyJQDPSBSYQRGHSR-UHFFFAOYSA-N
XLogP3.54
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide (CID 20824268) is 4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide is O=C(NCc1ccc(OC(F)F)cc1)c1cc(C(=O)NCc2ccc(OC(F)F)cc2)ncn1.
What is the InChIKey of 4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
The InChIKey is JQDPSBSYQRGHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O4/c23-21(24)33-15-5-1-13(2-6-15)10-27-19(31)17-9-18(30-12-29-17)20(32)28-11-14-3-7-16(8-4-14)34-22(25)26/h1-9,12,21-22H,10-11H2,(H,27,31)(H,28,32).
What are the key properties of 4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide?
4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide has a molecular weight of 478.40 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 20824268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).