N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide

C19H14F2N4O3 — CID 109318573

IUPACN-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccnc(Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C19H14F2N4O3/c20-12-2-1-3-13(21)17(12)25-18(26)14-6-7-22-19(24-14)23-11-4-5-15-16(10-11)28-9-8-27-15/h1-7,10H,8-9H2,(H,25,26)(H,22,23,24)
InChIKeyHVBRDERZUZSXJD-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.52
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide (PubChem CID 109318573) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
PubChem CID109318573
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC NameN-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccnc(Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C19H14F2N4O3/c20-12-2-1-3-13(21)17(12)25-18(26)14-6-7-22-19(24-14)23-11-4-5-15-16(10-11)28-9-8-27-15/h1-7,10H,8-9H2,(H,25,26)(H,22,23,24)
InChIKeyHVBRDERZUZSXJD-UHFFFAOYSA-N
XLogP3.52
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109316960
2-(1,3-benzodioxol-5-ylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109316544
N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109316794
N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109317097
2-(1,3-benzodioxol-5-ylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109316677
2-(4-acetylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318222
2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101071
N-(1,3-benzodioxol-5-yl)-4-(2,6-difluoroanilino)pyridine-2-carboxamide
CID 109222503
N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315717
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303559
methyl 4-[[4-[(2,6-difluorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109318359
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318750

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide (CID 109318573) is N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide is O=C(Nc1c(F)cccc1F)c1ccnc(Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide?
The InChIKey is HVBRDERZUZSXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c20-12-2-1-3-13(21)17(12)25-18(26)14-6-7-22-19(24-14)23-11-4-5-15-16(10-11)28-9-8-27-15/h1-7,10H,8-9H2,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).