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

C21H21FN6O2 — CID 138635535

IUPACN-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1nc2ccc(F)cc2n1C
InChIInChI=1S/C21H21FN6O2/c1-11-16(17-18(27-21(2)6-7-21)24-10-25-20(17)30-11)19(29)23-9-15-26-13-5-4-12(22)8-14(13)28(15)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,23,29)(H,24,25,27)
InChIKeyNDNUYFKHUAKGOL-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.45
Rot. Bonds5

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

N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635535) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635535
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC NameN-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1nc2ccc(F)cc2n1C
InChIInChI=1S/C21H21FN6O2/c1-11-16(17-18(27-21(2)6-7-21)24-10-25-20(17)30-11)19(29)23-9-15-26-13-5-4-12(22)8-14(13)28(15)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,23,29)(H,24,25,27)
InChIKeyNDNUYFKHUAKGOL-UHFFFAOYSA-N
XLogP3.45
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635535) is N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1nc2ccc(F)cc2n1C.
What is the InChIKey of N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is NDNUYFKHUAKGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-11-16(17-18(27-21(2)6-7-21)24-10-25-20(17)30-11)19(29)23-9-15-26-13-5-4-12(22)8-14(13)28(15)3/h4-5,8,10H,6-7,9H2,1-3H3,(H,23,29)(H,24,25,27).
What are the key properties of N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).