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

C19H18FN5O4 — CID 138635526

IUPACN-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C19H18FN5O4/c1-10-14(15-16(24-19(2)5-6-19)22-9-23-18(15)29-10)17(26)21-8-11-3-4-12(20)13(7-11)25(27)28/h3-4,7,9H,5-6,8H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyZZSSUMBGZSTCHU-UHFFFAOYSA-N
MW399.38 g/mol
LogP3.47
Rot. Bonds6

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

N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635526) has the molecular formula C19H18FN5O4 and a molecular weight of 399.38 g/mol. Its IUPAC name is N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635526
Molecular FormulaC19H18FN5O4
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC NameN-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C19H18FN5O4/c1-10-14(15-16(24-19(2)5-6-19)22-9-23-18(15)29-10)17(26)21-8-11-3-4-12(20)13(7-11)25(27)28/h3-4,7,9H,5-6,8H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyZZSSUMBGZSTCHU-UHFFFAOYSA-N
XLogP3.47
TPSA123.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 161014947
N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635237
N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 142599612
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635786
6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 138635849
N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635755
6-methyl-4-[(1-methylcyclopropyl)amino]-N-(6-methylpyridazin-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
CID 138635155
6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 166763354
N-(1-ethylcyclopropyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635639
6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209511
6-methyl-4-[(1-methylcyclopropyl)amino]-N-(2-methylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
CID 138635753
N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635318

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635526) is N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ZZSSUMBGZSTCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O4/c1-10-14(15-16(24-19(2)5-6-19)22-9-23-18(15)29-10)17(26)21-8-11-3-4-12(20)13(7-11)25(27)28/h3-4,7,9H,5-6,8H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 399.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).