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

C21H23FN4O2 — CID 142599612

IUPACN-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(F)c(CCNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c1
InChIInChI=1S/C21H23FN4O2/c1-12-4-5-15(22)14(10-12)6-9-23-19(27)16-13(2)28-20-17(16)18(24-11-25-20)26-21(3)7-8-21/h4-5,10-11H,6-9H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyNXHASOIHHDGXNQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.92
Rot. Bonds6

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

N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 142599612) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID142599612
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(F)c(CCNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c1
InChIInChI=1S/C21H23FN4O2/c1-12-4-5-15(22)14(10-12)6-9-23-19(27)16-13(2)28-20-17(16)18(24-11-25-20)26-21(3)7-8-21/h4-5,10-11H,6-9H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyNXHASOIHHDGXNQ-UHFFFAOYSA-N
XLogP3.92
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635578
N-[(4-fluoro-3-nitrophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635526
N-[(2,4-difluoro-5-methylphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209478
6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209511
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138636028
N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635366
N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635318
N-[(2-chloro-3-fluorophenyl)methyl]-N-iodo-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209336
6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 138635849
N-(1-ethylcyclopropyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635639
N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635237

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 142599612) is N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(F)c(CCNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c1.
What is the InChIKey of N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is NXHASOIHHDGXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-12-4-5-15(22)14(10-12)6-9-23-19(27)16-13(2)28-20-17(16)18(24-11-25-20)26-21(3)7-8-21/h4-5,10-11H,6-9H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-5-methylphenyl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 142599612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).