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

C21H23FN4O2 — CID 138635915

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O2/c1-12(10-14-4-6-15(22)7-5-14)25-19(27)16-13(2)28-20-17(16)18(23-11-24-20)26-21(3)8-9-21/h4-7,11-12H,8-10H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyLLFHTWKEXYRGOL-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.00
Rot. Bonds6

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

N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635915) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635915
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O2/c1-12(10-14-4-6-15(22)7-5-14)25-19(27)16-13(2)28-20-17(16)18(23-11-24-20)26-21(3)8-9-21/h4-7,11-12H,8-10H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyLLFHTWKEXYRGOL-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635915) is N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NC(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LLFHTWKEXYRGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-12(10-14-4-6-15(22)7-5-14)25-19(27)16-13(2)28-20-17(16)18(23-11-24-20)26-21(3)8-9-21/h4-7,11-12H,8-10H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).