N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

C21H22F2N4O2 — CID 170209478

IUPACN-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c(F)cc1F
InChIInChI=1S/C21H22F2N4O2/c1-11-7-13(15(23)8-14(11)22)9-27(4)20(28)16-12(2)29-19-17(16)18(24-10-25-19)26-21(3)5-6-21/h7-8,10H,5-6,9H2,1-4H3,(H,24,25,26)
InChIKeyHGEXJWMMLASGSL-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.35
Rot. Bonds5

About N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 170209478) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID170209478
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC NameN-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cc(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c(F)cc1F
InChIInChI=1S/C21H22F2N4O2/c1-11-7-13(15(23)8-14(11)22)9-27(4)20(28)16-12(2)29-19-17(16)18(24-10-25-19)26-21(3)5-6-21/h7-8,10H,5-6,9H2,1-4H3,(H,24,25,26)
InChIKeyHGEXJWMMLASGSL-UHFFFAOYSA-N
XLogP4.35
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 170209478) is N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1cc(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c(F)cc1F.
What is the InChIKey of N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is HGEXJWMMLASGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-11-7-13(15(23)8-14(11)22)9-27(4)20(28)16-12(2)29-19-17(16)18(24-10-25-19)26-21(3)5-6-21/h7-8,10H,5-6,9H2,1-4H3,(H,24,25,26).
What are the key properties of N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 170209478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).