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

C24H27FN4O2 — CID 138636028

IUPACN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C24H27FN4O2/c1-15-18(19-20(29-23(2)10-11-23)27-14-28-22(19)31-15)21(30)26-13-24(8-3-4-9-24)16-6-5-7-17(25)12-16/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyXINRGWPCLRHJPE-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.88
Rot. Bonds6

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

N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138636028) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138636028
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C24H27FN4O2/c1-15-18(19-20(29-23(2)10-11-23)27-14-28-22(19)31-15)21(30)26-13-24(8-3-4-9-24)16-6-5-7-17(25)12-16/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyXINRGWPCLRHJPE-UHFFFAOYSA-N
XLogP4.88
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138636028) is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCC1(c2cccc(F)c2)CCCC1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XINRGWPCLRHJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-15-18(19-20(29-23(2)10-11-23)27-14-28-22(19)31-15)21(30)26-13-24(8-3-4-9-24)16-6-5-7-17(25)12-16/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H,26,30)(H,27,28,29).
What are the key properties of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138636028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).