[4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

C22H25FN6O3 — CID 138635250

IUPAC[4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCC(c2ncc(OCF)cn2)CC1
InChIInChI=1S/C22H25FN6O3/c1-13-16(17-19(28-22(2)5-6-22)26-12-27-20(17)32-13)21(30)29-7-3-14(4-8-29)18-24-9-15(10-25-18)31-11-23/h9-10,12,14H,3-8,11H2,1-2H3,(H,26,27,28)
InChIKeyFKACLZTWKRYYGL-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.61
Rot. Bonds6

About [4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

[4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 138635250) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is [4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID138635250
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC Name[4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCC(c2ncc(OCF)cn2)CC1
InChIInChI=1S/C22H25FN6O3/c1-13-16(17-19(28-22(2)5-6-22)26-12-27-20(17)32-13)21(30)29-7-3-14(4-8-29)18-24-9-15(10-25-18)31-11-23/h9-10,12,14H,3-8,11H2,1-2H3,(H,26,27,28)
InChIKeyFKACLZTWKRYYGL-UHFFFAOYSA-N
XLogP3.61
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[4-(fluoromethoxy)phenyl]pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635405
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 138665661
[6-(fluoromethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635798
[3-(4-iodophenyl)pyrrolidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138666214
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone
CID 170208513
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1-propan-2-ylpyrazol-3-yl)piperidin-1-yl]methanone
CID 138635633
[4-(2-fluorophenoxy)piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635379
2,5-dihydropyrrol-1-yl-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 167697060
[4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635945
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 164938832
[(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635656
[4-(5-iodopyrimidin-2-yl)-3-methylpiperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 170208583

Frequently Asked Questions

What is the IUPAC name of [4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The IUPAC name of [4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (CID 138635250) is [4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The canonical SMILES for [4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCC(c2ncc(OCF)cn2)CC1.
What is the InChIKey of [4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The InChIKey is FKACLZTWKRYYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O3/c1-13-16(17-19(28-22(2)5-6-22)26-12-27-20(17)32-13)21(30)29-7-3-14(4-8-29)18-24-9-15(10-25-18)31-11-23/h9-10,12,14H,3-8,11H2,1-2H3,(H,26,27,28).
What are the key properties of [4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
[4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 440.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(fluoromethoxy)pyrimidin-2-yl]piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 138635250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).