2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one

C17H21FN6O — CID 136662080

IUPAC2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one
SMILESCN(C)c1nc(NC2CC(c3cc(=O)[nH]c(C4CC4)n3)C2)ncc1F
InChIInChI=1S/C17H21FN6O/c1-24(2)16-12(18)8-19-17(23-16)20-11-5-10(6-11)13-7-14(25)22-15(21-13)9-3-4-9/h7-11H,3-6H2,1-2H3,(H,19,20,23)(H,21,22,25)
InChIKeyNAFNKIVQSPNPML-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.00
Rot. Bonds5

About 2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one (PubChem CID 136662080) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one
PubChem CID136662080
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one
SMILESCN(C)c1nc(NC2CC(c3cc(=O)[nH]c(C4CC4)n3)C2)ncc1F
InChIInChI=1S/C17H21FN6O/c1-24(2)16-12(18)8-19-17(23-16)20-11-5-10(6-11)13-7-14(25)22-15(21-13)9-3-4-9/h7-11H,3-6H2,1-2H3,(H,19,20,23)(H,21,22,25)
InChIKeyNAFNKIVQSPNPML-UHFFFAOYSA-N
XLogP2.00
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

6-(cis-3-{[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino}cyclobutyl)-2-methylpyrimidin-4(3H)-one
CID 136662240
N-cyclopropyl-3-[5-fluoro-4-(2-methylpropylideneamino)pyrimidin-2-yl]-N-methyl-2,3-dihydro-1H-pyrrole-5-carboxamide
CID 71064680
N-[3-[[2-[(6-methyl-1-octan-4-yl-2,3-dihydropyridin-1-ium-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 155745783
N-[3-[[2-[(6-methyl-1-octan-4-yl-2,3-dihydropyridin-1-ium-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide;2-methylpropane
CID 155745804
cis-(1R,2S)-2-[1-amino-3-cyclopropylimino-3-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]prop-1-enyl]cyclopropane-1-carboxamide
CID 173891431
4-[(1S,2S)-2-(5-fluoropyrimidin-2-yl)cyclopropyl]-2-methyl-1H-pyrimidin-6-one
CID 176240967
6-Cyclopropyl-2-{4-[(5-fluoropyrimidin-4-yl)amino]cyclohexyl}-2,3-dihydropyridazin-3-one
CID 126935178
6-Cyclopropyl-3-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126941634
6-Cyclopropyl-3-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126941903
3-{[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 126942107
3-{[1-(5-Fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 126942382
6-Tert-butyl-3-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944346

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one (CID 136662080) is 2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one is CN(C)c1nc(NC2CC(c3cc(=O)[nH]c(C4CC4)n3)C2)ncc1F.
What is the InChIKey of 2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one?
The InChIKey is NAFNKIVQSPNPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-24(2)16-12(18)8-19-17(23-16)20-11-5-10(6-11)13-7-14(25)22-15(21-13)9-3-4-9/h7-11H,3-6H2,1-2H3,(H,19,20,23)(H,21,22,25).
What are the key properties of 2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one has a molecular weight of 344.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclobutyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136662080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).