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

C19H20FN5O4 — CID 161014947

IUPACN-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1cc(N(O)O)ccc1F
InChIInChI=1S/C19H20FN5O4/c1-10-14(15-16(24-19(2)5-6-19)22-9-23-18(15)29-10)17(26)21-8-11-7-12(25(27)28)3-4-13(11)20/h3-4,7,9,27-28H,5-6,8H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyTXPITSXOOFCUDS-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.15
Rot. Bonds6

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

N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 161014947) has the molecular formula C19H20FN5O4 and a molecular weight of 401.40 g/mol. Its IUPAC name is N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID161014947
Molecular FormulaC19H20FN5O4
Molecular Weight401.40 g/mol
Exact Mass401.15
IUPAC NameN-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1cc(N(O)O)ccc1F
InChIInChI=1S/C19H20FN5O4/c1-10-14(15-16(24-19(2)5-6-19)22-9-23-18(15)29-10)17(26)21-8-11-7-12(25(27)28)3-4-13(11)20/h3-4,7,9,27-28H,5-6,8H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyTXPITSXOOFCUDS-UHFFFAOYSA-N
XLogP3.15
TPSA123.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635578
N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 142599612
N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635526
6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635742
N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209478
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-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 138635849
N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209809
N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635237
N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209703
N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635882
N-[1-(2,5-difluorophenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635156

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 161014947) is N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1cc(N(O)O)ccc1F.
What is the InChIKey of N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is TXPITSXOOFCUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O4/c1-10-14(15-16(24-19(2)5-6-19)22-9-23-18(15)29-10)17(26)21-8-11-7-12(25(27)28)3-4-13(11)20/h3-4,7,9,27-28H,5-6,8H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 161014947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).